(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide

C9H23NO7Si2 — CID 123787927

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide
SMILESO=C(NCCC[SiH2]O[SiH3])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H23NO7Si2/c11-4-5(12)6(13)7(14)8(15)9(16)10-2-1-3-19-17-18/h5-8,11-15H,1-4,19H2,18H3,(H,10,16)/t5-,6-,7+,8-/m1/s1
InChIKeyUHIPVLITKVEMLL-OOJXKGFFSA-N
MW313.46 g/mol
LogP-5.27
Rot. Bonds10

About (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide (PubChem CID 123787927) has the molecular formula C9H23NO7Si2 and a molecular weight of 313.46 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide
PubChem CID123787927
Molecular FormulaC9H23NO7Si2
Molecular Weight313.46 g/mol
Exact Mass313.10
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide
SMILESO=C(NCCC[SiH2]O[SiH3])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H23NO7Si2/c11-4-5(12)6(13)7(14)8(15)9(16)10-2-1-3-19-17-18/h5-8,11-15H,1-4,19H2,18H3,(H,10,16)/t5-,6-,7+,8-/m1/s1
InChIKeyUHIPVLITKVEMLL-OOJXKGFFSA-N
XLogP-5.27
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.46
LogP ≤ 5-5.27
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'}

Analyze (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide with MolForge

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Related Compounds

(3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 123937255
(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,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
(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
CID 124819757
N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 23193776
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide
CID 60622991
(2S,4S,5R)-N-(4-aminobutyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 89146863
(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
N-(2-bromoethyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 117069356
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-undecoxypropyl)hexanamide
CID 172548270

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide (CID 123787927) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide is O=C(NCCC[SiH2]O[SiH3])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide?
The InChIKey is UHIPVLITKVEMLL-OOJXKGFFSA-N. The full InChI is InChI=1S/C9H23NO7Si2/c11-4-5(12)6(13)7(14)8(15)9(16)10-2-1-3-19-17-18/h5-8,11-15H,1-4,19H2,18H3,(H,10,16)/t5-,6-,7+,8-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide has a molecular weight of 313.46 g/mol, XLogP of -5.27, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide is sourced from PubChem (CID 123787927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).