(3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate

C13H27NO9Si — CID 123214686

IUPAC(3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate
SMILESCCO[Si](CNC(=O)OCC(=O)C(O)C(O)CO)(OCC)OCC
InChIInChI=1S/C13H27NO9Si/c1-4-21-24(22-5-2,23-6-3)9-14-13(19)20-8-11(17)12(18)10(16)7-15/h10,12,15-16,18H,4-9H2,1-3H3,(H,14,19)
InChIKeyMWSWTVVNZPCFJK-UHFFFAOYSA-N
MW369.44 g/mol
LogP-1.42
Rot. Bonds13

About (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate

(3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate (PubChem CID 123214686) has the molecular formula C13H27NO9Si and a molecular weight of 369.44 g/mol. Its IUPAC name is (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate.

Molecular Properties

Compound Name(3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate
PubChem CID123214686
Molecular FormulaC13H27NO9Si
Molecular Weight369.44 g/mol
Exact Mass369.15
IUPAC Name(3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate
SMILESCCO[Si](CNC(=O)OCC(=O)C(O)C(O)CO)(OCC)OCC
InChIInChI=1S/C13H27NO9Si/c1-4-21-24(22-5-2,23-6-3)9-14-13(19)20-8-11(17)12(18)10(16)7-15/h10,12,15-16,18H,4-9H2,1-3H3,(H,14,19)
InChIKeyMWSWTVVNZPCFJK-UHFFFAOYSA-N
XLogP-1.42
TPSA143.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide
CID 60622991
(3S,4R)-3,4,5-trihydroxy-1-methoxypentan-2-one
CID 90002690
oxiran-2-ylmethyl N-(triethoxysilylmethyl)carbamate
CID 162452434
[(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 2-aminoacetate
CID 91456041
[(3R,4R)-3,4,5-trihydroxy-2-oxopentyl] prop-2-enoate
CID 87644162
[(3R,4R)-3,4,5-trihydroxy-2-oxopentyl] 6,6-diaminohexanoate
CID 91359015
ethyl (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218813
[(3S,4R)-3,4,5-trihydroxy-2-oxopentoxy]boronic acid
CID 91414125
ethyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218815
N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide
CID 140531712
2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide
CID 156664659
2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide
CID 72527433

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate?
The IUPAC name of (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate (CID 123214686) is (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate.
What is the SMILES notation for (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate?
The canonical SMILES for (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate is CCO[Si](CNC(=O)OCC(=O)C(O)C(O)CO)(OCC)OCC.
What is the InChIKey of (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate?
The InChIKey is MWSWTVVNZPCFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO9Si/c1-4-21-24(22-5-2,23-6-3)9-14-13(19)20-8-11(17)12(18)10(16)7-15/h10,12,15-16,18H,4-9H2,1-3H3,(H,14,19).
What are the key properties of (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate?
(3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate has a molecular weight of 369.44 g/mol, XLogP of -1.42, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trihydroxy-2-oxopentyl) N-(triethoxysilylmethyl)carbamate is sourced from PubChem (CID 123214686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).