(3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide

C11H25NO7Si — CID 123937255

IUPAC(3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide
SMILESCCO[SiH2]CCCNC(=O)C(O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H25NO7Si/c1-2-19-20-5-3-4-12-11(18)10(17)9(16)8(15)7(14)6-13/h7-10,13-17H,2-6,20H2,1H3,(H,12,18)/t7-,8-,9+,10?/m1/s1
InChIKeyDTTJQMUDRVFQDZ-HNJRMYHASA-N
MW311.41 g/mol
LogP-3.53
Rot. Bonds11

About (3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide

(3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 123937255) has the molecular formula C11H25NO7Si and a molecular weight of 311.41 g/mol. Its IUPAC name is (3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name(3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID123937255
Molecular FormulaC11H25NO7Si
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name(3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide
SMILESCCO[SiH2]CCCNC(=O)C(O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H25NO7Si/c1-2-19-20-5-3-4-12-11(18)10(17)9(16)8(15)7(14)6-13/h7-10,13-17H,2-6,20H2,1H3,(H,12,18)/t7-,8-,9+,10?/m1/s1
InChIKeyDTTJQMUDRVFQDZ-HNJRMYHASA-N
XLogP-3.53
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.41
LogP ≤ 5-3.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide
CID 123787927
(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxy-N-[3-[[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]hexanamide
CID 14403953
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide
CID 60622991
(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
CID 124819757
(2R,3R,4S,5R,6R)-N-[2-[[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]amino]ethyl]-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513201
N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 23193776
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
(2S,4S,5R)-N-(4-aminobutyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 89146863
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-undecoxypropyl)hexanamide
CID 172548270
ethane;N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 144926346
(2R,3S,4R,5R)-N-(5-aminopentyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 102510568
N-(4-aminobutyl)-2,3,4,5,6,7,8-heptahydroxyoctanamide
CID 88861881

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of (3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide (CID 123937255) is (3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for (3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for (3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide is CCO[SiH2]CCCNC(=O)C(O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is DTTJQMUDRVFQDZ-HNJRMYHASA-N. The full InChI is InChI=1S/C11H25NO7Si/c1-2-19-20-5-3-4-12-11(18)10(17)9(16)8(15)7(14)6-13/h7-10,13-17H,2-6,20H2,1H3,(H,12,18)/t7-,8-,9+,10?/m1/s1.
What are the key properties of (3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide?
(3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 311.41 g/mol, XLogP of -3.53, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 123937255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).