Hexasodium hexametaphosphate

CAS 10124-56-8  ·  Na₆O₁₈P₆  ·  MW 611.77 g/mol

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3D模型Hexasodium hexametaphosphate，CAS 10124-56-8，分子式Na₆O₁₈P₆, 摩尔质量 611.77 g/mol

模型视图

  • Hexasodium hexametaphosphate (CAS 10124-56-8) – 球棍模型（平面投影）, MolGod Viewer
    球棍模型（平面投影）
  • Hexasodium hexametaphosphate (CAS 10124-56-8) – 骨架模型（平面投影）, MolGod Viewer
    骨架模型（平面投影）
  • Hexasodium hexametaphosphate (CAS 10124-56-8) – 空间填充模型（平面投影）, MolGod Viewer
    空间填充模型（平面投影）
  • Hexasodium hexametaphosphate (CAS 10124-56-8) – 二维结构, MolGod Viewer
    二维结构

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关于 Hexasodium hexametaphosphate

Hexasodium hexametaphosphate 是一种化学品，登记号为 CAS 10124-56-8，分子式为 Na₆O₁₈P₆，摩尔质量为 611.77 g/mol。

该分子包含 30 个原子，通过 24 个化学键连接。 该化合物的完整系统 IUPAC 名称为 hexasodium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide。 上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面， 极性表面积 PSA = 296 Ų，0 个氢键供体和 18 个氢键受体。 这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。交互式3D模型和查看器图像受版权保护（© MolGod.org）——使用条款：molgod.org/copyright/。

理化性质
Molecular formulaNa₆O₁₈P₆
Molar mass611.77 g/mol
IUPAChexasodium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2lambda5,4lambda5,6lambda5,8lambda5,10lambda5,12lambda5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide
SMILES[O-]P1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKeyGCLGEJMYGQKIIW-UHFFFAOYSA-H
logP (XLogP3)—
PSA296 Ų
HBD / HBA0 / 18
PubChem CIDCID 24968 ↗
科学文献

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

筛选：导出：📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

同义词
Hexasodium hexametaphosphate · Chemi-charl · Calgon S · Calgon (old) · Caswell No. 772 · Hexasodium metaphosphate · Phosphate, sodium hexameta · FEMA 3027 · HSDB 5053 · Natrium hexametaphosphat · N40N91DW96 · EINECS 233-343-1 · Sodium hexametaphosphate (Na6P6O18) · EPA Pesticide Chemical Code 076402 · UNII-N40N91DW96
数据来源
相关分子
📜 许可与来源PREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 7 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

6 stereo element(s) undefined in the source record (6 stereocentre(s), 0 double-bond E/Z) were assigned arbitrarily; the model shows one stereoisomer only, which may not be the naturally occurring or commercial form.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/24968
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)

MG-STL-10124-56-8-ENGRAVED

Hexasodium hexametaphosphate (CAS 10124-56-8), Na₆O₁₈P₆ - 3D ball-and-stick molecular model, MolGod STL preview下载图片

MG-STL-10124-56-8-NORMAL · 12,480 △ · 609 KB · SHA-256 c952b31816268945

下载 3D 模型

模型
Hexasodium hexametaphosphate · 10124-56-8
InChIKey
GCLGEJMYGQKIIW-UHFFFAOYSA-H
许可协议
CC BY-SA 4.0 International (来源权利 未确定 — 尚未授予)
署名
MolGod Scientific — Hexasodium hexametaphosphate (CAS 10124-56-8)
许可与来源记录
Hexasodium hexametaphosphate (CAS 10124-56-8) →
MolGod 分子记录
Hexasodium hexametaphosphate →
源数据
PubChem CID 24968 ↗
模型信息
由 MolGod 生成的 STL · MolGod STL Exporter build 48804cd20b0d · 生成于 2026-10-14
SHA-256 (STL)
c952b31816268945847a78e4d730c6f23b30b36d4d40f1cd270d24decb7bf74e
MD5 (STL)
14f7006b020496e5ee1bb25ebd5f85a3
模型标识符
MG-STL-10124-56-8
转换
MolGod Scientific 球棍模型网格
更改
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
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本许可适用于 MolGod 创建的 STL 网格，不自动适用于第三方源材料。

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