Sodium silicate nonahydrate

CAS 13517-24-3  ·  H₁₈Na₂O₁₂Si  ·  MW 284.20 g/mol

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3D模型Sodium silicate nonahydrate，CAS 13517-24-3，分子式H₁₈Na₂O₁₂Si, 摩尔质量 284.20 g/mol

模型视图

  • Sodium silicate nonahydrate (CAS 13517-24-3) – 3D球棍模型, MolGod Viewer
    3D球棍模型
  • Sodium silicate nonahydrate (CAS 13517-24-3) – 3D骨架模型, MolGod Viewer
    3D骨架模型
  • Sodium silicate nonahydrate (CAS 13517-24-3) – 3D空间填充模型, MolGod Viewer
    3D空间填充模型
  • Sodium silicate nonahydrate (CAS 13517-24-3) – 二维结构, MolGod Viewer
    二维结构

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关于 Sodium silicate nonahydrate

Sodium silicate nonahydrate 是一种化学品，登记号为 CAS 13517-24-3，分子式为 H₁₈Na₂O₁₂Si，摩尔质量为 284.20 g/mol。

该分子包含 33 个原子，通过 21 个化学键连接。 该化合物的完整系统 IUPAC 名称为 disodium;dioxido(oxo)silane;nonahydrate。 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 = 72.2 Ų，9 个氢键供体和 12 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 formulaH₁₈Na₂O₁₂Si
Molar mass284.20 g/mol
IUPACdisodium;dioxido(oxo)silane;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]
InChIKeyPHIQPXBZDGYJOG-UHFFFAOYSA-N
logP (XLogP3)—
PSA72.2 Ų
HBD / HBA9 / 12
PubChem CIDCID 61639 ↗
GHS 安全

信号词: 危险

GHS05
GHS05
GHS07
GHS07
GHS08
GHS08

H314 — 造成严重皮肤灼伤和眼损伤

H335 — 可引起呼吸道刺激

H318 — 造成严重眼损伤

H371 — 可能对器官造成损害(或说明已知的所有受影响器官) (说明接触途径――如已确证无其他接触途径造成这一危害)

科学文献

Brak articles naukowych dla CAS 13517-24-3 w PubMed / OpenAlex / Semantic Scholar.

同义词
Sodium metasilicate nonahydrate · 13517-24-3 · Silicic acid (H2SiO3), disodium salt, nonahydrate · sodium silicate nonahydrate · D8D44215LZ · DISODIUM METASILICATE NONAHYDRATE · CHEBI:132108 · RefChem:183975 · DTXCID109728 · disodium;dioxido(oxo)silane;nonahydrate · UNII-D8D44215LZ · H18Na2O12Si · SCHEMBL578147 · PHIQPXBZDGYJOG-UHFFFAOYSA-N · AKOS030228265
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+UFF 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 12 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.

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. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
  7. 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
  8. 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/61639
  9. 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)
Sodium silicate nonahydrate (CAS 13517-24-3), H₁₈Na₂O₁₂Si - 3D ball-and-stick molecular model, engraved element symbols (H Na O Si), MolGod STL preview下载图片

MG-STL-13517-24-3-ENGRAVED · 468,178 △ · 22 MB · SHA-256 8c3ca082df64e492

下载 3D 模型 · ENGRAVED · H Na O Si

Sodium silicate nonahydrate (CAS 13517-24-3), H₁₈Na₂O₁₂Si - 3D ball-and-stick molecular model, MolGod STL preview下载图片

MG-STL-13517-24-3-NORMAL · 12,672 △ · 619 KB · SHA-256 b25f75a913a8a781

下载 3D 模型

模型
Sodium silicate nonahydrate · 13517-24-3
InChIKey
PHIQPXBZDGYJOG-UHFFFAOYSA-N
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 — Sodium silicate nonahydrate (CAS 13517-24-3)
许可与来源记录
Sodium silicate nonahydrate (CAS 13517-24-3) →
MolGod 分子记录
Sodium silicate nonahydrate →
源数据
PubChem CID 61639 ↗
模型信息
由 MolGod 生成的 STL · MolGod STL Exporter build 48804cd20b0d · 生成于 2026-10-14
SHA-256 (STL)
b25f75a913a8a781b79debc27f9f1988a540eed5416bad4b6d22cd891d1a0777
MD5 (STL)
55780689091de391f72818e85c5f6923
模型标识符
MG-STL-13517-24-3
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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