Sodium mannuronate methylsilanol

C7H11NaO7Si — CID 72941532

IUPAC—
SMILESC[Si]O[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-].[Na+]
InChIInChI=1S/C7H12O7Si.Na/c1-15-14-3(2-8)4(9)5(10)6(11)7(12)13;/h2-6,9-11H,1H3,(H,12,13);/q;+1/p-1/t3-,4-,5+,6+;/m1./s1
InChIKeyUJFLKMBZBZDCPD-QAYODLCCSA-M
MW258.23 g/mol
LogP-6.93
Rot. Bonds7

About Sodium mannuronate methylsilanol

Sodium mannuronate methylsilanol (PubChem CID 72941532) has the molecular formula C7H11NaO7Si and a molecular weight of 258.23 g/mol.

Molecular Properties

Compound NameSodium mannuronate methylsilanol
PubChem CID72941532
Molecular FormulaC7H11NaO7Si
Molecular Weight258.23 g/mol
Exact Mass258.02
IUPAC Name—
SMILESC[Si]O[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-].[Na+]
InChIInChI=1S/C7H12O7Si.Na/c1-15-14-3(2-8)4(9)5(10)6(11)7(12)13;/h2-6,9-11H,1H3,(H,12,13);/q;+1/p-1/t3-,4-,5+,6+;/m1./s1
InChIKeyUJFLKMBZBZDCPD-QAYODLCCSA-M
XLogP-6.93
TPSA127.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-6.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Sodium mannuronate methylsilanol?
The IUPAC name of Sodium mannuronate methylsilanol (CID 72941532) is not available.
What is the SMILES notation for Sodium mannuronate methylsilanol?
The canonical SMILES for Sodium mannuronate methylsilanol is C[Si]O[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-].[Na+].
What is the InChIKey of Sodium mannuronate methylsilanol?
The InChIKey is UJFLKMBZBZDCPD-QAYODLCCSA-M. The full InChI is InChI=1S/C7H12O7Si.Na/c1-15-14-3(2-8)4(9)5(10)6(11)7(12)13;/h2-6,9-11H,1H3,(H,12,13);/q;+1/p-1/t3-,4-,5+,6+;/m1./s1.
What are the key properties of Sodium mannuronate methylsilanol?
Sodium mannuronate methylsilanol has a molecular weight of 258.23 g/mol, XLogP of -6.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium mannuronate methylsilanol is sourced from PubChem (CID 72941532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).