Silicic acid (H2SiO3), disodium salt, pentahydrate

Name: Silicic acid (H2SiO3), disodium salt, pentahydrate (CAS 10213-79-3) ——完整化学数据集
Creator: MolGod.org
License: https://molgod.org/copyright/#data

CAS 10213-79-3 · H₁₀Na₂O₈Si · MW 212.14 g/mol

模型视图

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3D骨架模型
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二维结构

关于 Silicic acid (H2SiO3), disodium salt, pentahydrate

Silicic acid (H2SiO3), disodium salt, pentahydrate 是一种化学品，登记号为 CAS 10213-79-3，分子式为 H₁₀Na₂O₈Si，摩尔质量为 212.14 g/mol。

该分子包含 21 个原子，通过 13 个化学键连接。该化合物的完整系统 IUPAC 名称为 disodium;dioxido(oxo)silane;pentahydrate。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 = 68.2 Å²，5 个氢键供体和 8 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 formula	H₁₀Na₂O₈Si
Molar mass	212.14 g/mol
IUPAC	disodium;dioxido(oxo)silane;pentahydrate
SMILES	`O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]`
InChIKey	`ADPGKKZKGXANON-UHFFFAOYSA-N`
logP (XLogP3)	—
PSA	68.2 Å²
HBD / HBA	5 / 8
PubChem CID	CID 61495 ↗

GHS 安全

信号词: 危险

GHS05

GHS07

GHS08

H302 — 吞咽有害

H314 — 造成严重皮肤灼伤和眼损伤

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 10213-79-3 w PubMed / OpenAlex / Semantic Scholar.

同义词

Sodium metasilicate pentahydrate · Silicic acid (H2SiO3), disodium salt, pentahydrate · Silicic acid, disodium salt, pentahydrate · DISODIUM METASILICATE PENTAHYDRATE · RefChem:885447 · DTXCID409717 · 10213-79-3 · disodium;dioxido(oxo)silane;pentahydrate · MFCD00149176 · H10Na2O8Si · SCHEMBL123472 · SODIUM METASILICATE 5H2O · AKOS015913813 · FS76799 · NS00113262

数据来源

📊 PubChem CID 61495 — NIH
🔬 NIST WebBook — 光谱
🌐 Wikidata
💊 ChEMBL — 生物活性

📜 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 8 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

RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
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
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
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
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
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
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
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/61495
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)

ENGRAVEDNORMAL

Silicic acid (H2SiO3), disodium salt, pentahydrate (CAS 10213-79-3), H₁₀Na₂O₈Si - 3D ball-and-stick molecular model, engraved element symbols (H Na O Si), MolGod STL preview

MG-STL-10213-79-3-ENGRAVED · 305,268 △ · 15 MB · SHA-256 5216fe64cfeb7621

下载 3D 模型 · ENGRAVED · H Na O Si

Silicic acid (H2SiO3), disodium salt, pentahydrate (CAS 10213-79-3), H₁₀Na₂O₈Si - 3D ball-and-stick molecular model, MolGod STL preview

MG-STL-10213-79-3-NORMAL · 8,064 △ · 394 KB · SHA-256 c90e418a05454e53

下载 3D 模型

模型: Silicic acid (H2SiO3), disodium salt, pentahydrate · 10213-79-3
InChIKey: ADPGKKZKGXANON-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 — Silicic acid (H2SiO3), disodium salt, pentahydrate (CAS 10213-79-3)
许可与来源记录: Silicic acid (H2SiO3), disodium salt, pentahydrate (CAS 10213-79-3) →
MolGod 分子记录: Silicic acid (H2SiO3), disodium salt, pentahydrate →
源数据: PubChem CID 61495 ↗
模型信息: 由 MolGod 生成的 STL · MolGod STL Exporter build 48804cd20b0d · 生成于 2026-10-14
SHA-256 (STL): c90e418a05454e53c4c197f9a32d931b3feff39a691de62bff5e6ec3bc250e3e
MD5 (STL): b201e60ae694c7b35ec32416bed1ac3a
模型标识符: MG-STL-10213-79-3
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.
Wikimedia Commons: 尚未发布

📄 下载 3D 模型 (394 KB)📄 下载 3D 模型 · ENGRAVED · H Na O Si · (15 MB)

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