(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide

C15H33NO9Si — CID 89106813

IUPAC(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide
SMILESCCO[Si](OCC)(OCC)C(CC)O[C@@H](C(N)=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C15H33NO9Si/c1-5-11(26(22-6-2,23-7-3)24-8-4)25-14(15(16)21)13(20)12(19)10(18)9-17/h10-14,17-20H,5-9H2,1-4H3,(H2,16,21)/t10-,11?,12-,13+,14-/m1/s1
InChIKeyJMMLSKQJYWIRGF-RKFYDKJMSA-N
MW399.51 g/mol
LogP-1.70
Rot. Bonds15

About (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide

(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide (PubChem CID 89106813) has the molecular formula C15H33NO9Si and a molecular weight of 399.51 g/mol. Its IUPAC name is (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide
PubChem CID89106813
Molecular FormulaC15H33NO9Si
Molecular Weight399.51 g/mol
Exact Mass399.19
IUPAC Name(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide
SMILESCCO[Si](OCC)(OCC)C(CC)O[C@@H](C(N)=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C15H33NO9Si/c1-5-11(26(22-6-2,23-7-3)24-8-4)25-14(15(16)21)13(20)12(19)10(18)9-17/h10-14,17-20H,5-9H2,1-4H3,(H2,16,21)/t10-,11?,12-,13+,14-/m1/s1
InChIKeyJMMLSKQJYWIRGF-RKFYDKJMSA-N
XLogP-1.70
TPSA160.93 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 5-1.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-propoxyhexanamide
CID 89427404
ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate
CID 118665846
ethyl (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218813
ethyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218815
ethyl (2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 54186591
(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 87662117
2-(1-aminoethoxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 87421563
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
2,3-bis[(2-ethoxy-3,4,5,6-tetrahydroxyhexanoyl)oxy]propyl 2-ethoxy-3,4,5,6-tetrahydroxyhexanoate
CID 23018394
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695
(3S,4R,5R)-3-aminooxy-4,5,6-trihydroxyhexan-2-one
CID 88612137

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide?
The IUPAC name of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide (CID 89106813) is (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide?
The canonical SMILES for (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide is CCO[Si](OCC)(OCC)C(CC)O[C@@H](C(N)=O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide?
The InChIKey is JMMLSKQJYWIRGF-RKFYDKJMSA-N. The full InChI is InChI=1S/C15H33NO9Si/c1-5-11(26(22-6-2,23-7-3)24-8-4)25-14(15(16)21)13(20)12(19)10(18)9-17/h10-14,17-20H,5-9H2,1-4H3,(H2,16,21)/t10-,11?,12-,13+,14-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide?
(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide has a molecular weight of 399.51 g/mol, XLogP of -1.70, 15 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-triethoxysilylpropoxy)hexanamide is sourced from PubChem (CID 89106813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).