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

C12H23NO6 — CID 11482797

IUPAC(2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide
SMILESO=C(NC1CCCCC1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C12H23NO6/c14-6-8(15)9(16)10(17)11(18)12(19)13-7-4-2-1-3-5-7/h7-11,14-18H,1-6H2,(H,13,19)/t8-,9-,10+,11-/m1/s1
InChIKeyVQCGPMVENPEPDO-CHWFTXMASA-N
MW277.32 g/mol
LogP-2.13
Rot. Bonds6

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

(2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 11482797) has the molecular formula C12H23NO6 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID11482797
Molecular FormulaC12H23NO6
Molecular Weight277.32 g/mol
Exact Mass277.15
IUPAC Name(2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide
SMILESO=C(NC1CCCCC1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C12H23NO6/c14-6-8(15)9(16)10(17)11(18)12(19)13-7-4-2-1-3-5-7/h7-11,14-18H,1-6H2,(H,13,19)/t8-,9-,10+,11-/m1/s1
InChIKeyVQCGPMVENPEPDO-CHWFTXMASA-N
XLogP-2.13
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.32
LogP ≤ 5-2.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
(2R,3R,4R,5R)-N,N-dicyclohexyl-2,3,4,5,6-pentahydroxyhexanamide
CID 98565543
(2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol
CID 127036001
(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
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
(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,5S,6S)-3,4,5,6,7-pentahydroxyheptan-2-one
CID 122415477
(2S,3S)-N,N'-dicyclopropyl-2,3-dihydroxybutanediamide
CID 124582779
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
2-amino-N-cyclohexyl-2-sulfanylacetamide
CID 87171089
N-cyclohexyl-2-(1,3-dihydroxypropan-2-ylamino)acetamide
CID 65313308

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of (2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide (CID 11482797) is (2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide is O=C(NC1CCCCC1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is VQCGPMVENPEPDO-CHWFTXMASA-N. The full InChI is InChI=1S/C12H23NO6/c14-6-8(15)9(16)10(17)11(18)12(19)13-7-4-2-1-3-5-7/h7-11,14-18H,1-6H2,(H,13,19)/t8-,9-,10+,11-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide?
(2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 277.32 g/mol, XLogP of -2.13, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 11482797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).