(2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide

C10H21NO6 — CID 92974319

IUPAC(2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
SMILESCC[C@H](C)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H21NO6/c1-3-5(2)11-10(17)9(16)8(15)7(14)6(13)4-12/h5-9,12-16H,3-4H2,1-2H3,(H,11,17)/t5-,6+,7+,8-,9+/m0/s1
InChIKeyICMIHTLTWWCGHN-JTPBWFLFSA-N
MW251.28 g/mol
LogP-2.66
Rot. Bonds7

About (2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide

(2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 92974319) has the molecular formula C10H21NO6 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID92974319
Molecular FormulaC10H21NO6
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Name(2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
SMILESCC[C@H](C)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H21NO6/c1-3-5(2)11-10(17)9(16)8(15)7(14)6(13)4-12/h5-9,12-16H,3-4H2,1-2H3,(H,11,17)/t5-,6+,7+,8-,9+/m0/s1
InChIKeyICMIHTLTWWCGHN-JTPBWFLFSA-N
XLogP-2.66
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.28
LogP ≤ 5-2.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide
CID 130321877
(2S)-2-(2,3,4,5,6-pentahydroxyhexanoylamino)propanoic acid
CID 56969147
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide
CID 18658603
(2S)-3-methyl-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]butanoic acid
CID 7909378
(2S)-3-methyl-2-(2,3,4,5,6-pentahydroxyhexanoylamino)butanoic acid
CID 51056110
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
ethane;N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 144926346
4-methyl-2-(2,3,4,5,6-pentahydroxyhexanoylamino)pentanoic acid
CID 3893142
(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,3S,4S,5R)-N-acetyl-2,3,4,5,6-pentahydroxyhexanamide
CID 18631221
(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
2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide
CID 135157558

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of (2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide (CID 92974319) is (2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide is CC[C@H](C)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is ICMIHTLTWWCGHN-JTPBWFLFSA-N. The full InChI is InChI=1S/C10H21NO6/c1-3-5(2)11-10(17)9(16)8(15)7(14)6(13)4-12/h5-9,12-16H,3-4H2,1-2H3,(H,11,17)/t5-,6+,7+,8-,9+/m0/s1.
What are the key properties of (2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide?
(2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 251.28 g/mol, XLogP of -2.66, 7 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-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 92974319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).