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

C15H33NO9Si — CID 60622991

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide
SMILESCCO[Si](CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)(OCC)OCC
InChIInChI=1S/C15H33NO9Si/c1-4-23-26(24-5-2,25-6-3)9-7-8-16-15(22)14(21)13(20)12(19)11(18)10-17/h11-14,17-21H,4-10H2,1-3H3,(H,16,22)/t11-,12-,13+,14-/m1/s1
InChIKeyRGFDUEXNZLUZGH-YIYPIFLZSA-N
MW399.51 g/mol
LogP-2.02
Rot. Bonds15

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

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide (PubChem CID 60622991) has the molecular formula C15H33NO9Si and a molecular weight of 399.51 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide
PubChem CID60622991
Molecular FormulaC15H33NO9Si
Molecular Weight399.51 g/mol
Exact Mass399.19
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide
SMILESCCO[Si](CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)(OCC)OCC
InChIInChI=1S/C15H33NO9Si/c1-4-23-26(24-5-2,25-6-3)9-7-8-16-15(22)14(21)13(20)12(19)11(18)10-17/h11-14,17-21H,4-10H2,1-3H3,(H,16,22)/t11-,12-,13+,14-/m1/s1
InChIKeyRGFDUEXNZLUZGH-YIYPIFLZSA-N
XLogP-2.02
TPSA157.94 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.51
LogP ≤ 5-2.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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-triethoxysilylpropyl)hexanamide with MolForge

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Related Compounds

(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
(3S,4R,5R)-N-(3-ethoxysilylpropyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 123937255
(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
(2S,4S,5R)-N-(4-aminobutyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 89146863
(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-(4-aminobutyl)-2,3,4,5,6,7,8-heptahydroxyoctanamide
CID 88861881
(2R,3S,4R,5R)-N-(5-aminopentyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 102510568
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-silyloxysilylpropyl)hexanamide
CID 123787927
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide (CID 60622991) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide is CCO[Si](CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)(OCC)OCC.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide?
The InChIKey is RGFDUEXNZLUZGH-YIYPIFLZSA-N. The full InChI is InChI=1S/C15H33NO9Si/c1-4-23-26(24-5-2,25-6-3)9-7-8-16-15(22)14(21)13(20)12(19)11(18)10-17/h11-14,17-21H,4-10H2,1-3H3,(H,16,22)/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide has a molecular weight of 399.51 g/mol, XLogP of -2.02, 15 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide is sourced from PubChem (CID 60622991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).