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

C9H17NO7 — CID 18658603

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide
SMILESCCC(=O)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H17NO7/c1-2-5(13)10-9(17)8(16)7(15)6(14)4(12)3-11/h4,6-8,11-12,14-16H,2-3H2,1H3,(H,10,13,17)/t4-,6-,7+,8-/m1/s1
InChIKeyLJOYAAMOFPIBEG-CCXZUQQUSA-N
MW251.23 g/mol
LogP-3.52
Rot. Bonds6

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

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide (PubChem CID 18658603) has the molecular formula C9H17NO7 and a molecular weight of 251.23 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide
PubChem CID18658603
Molecular FormulaC9H17NO7
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide
SMILESCCC(=O)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H17NO7/c1-2-5(13)10-9(17)8(16)7(15)6(14)4(12)3-11/h4,6-8,11-12,14-16H,2-3H2,1H3,(H,10,13,17)/t4-,6-,7+,8-/m1/s1
InChIKeyLJOYAAMOFPIBEG-CCXZUQQUSA-N
XLogP-3.52
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.23
LogP ≤ 5-3.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide
CID 141176640
(2R,3S,4S,5R)-N-acetyl-2,3,4,5,6-pentahydroxyhexanamide
CID 18631221
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]nonanamide
CID 141113307
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]undecanamide
CID 141113312
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide
CID 141113311
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
(2R,3S,4R,5R)-N-[(2S)-butan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
CID 92974319
ethane;N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 144926346
(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
(2S)-2-(2,3,4,5,6-pentahydroxyhexanoylamino)propanoic acid
CID 56969147
(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
N-(1,2,3,4,7,8,9-heptahydroxy-6-oxononan-5-yl)propanamide
CID 90896461

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide (CID 18658603) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide is CCC(=O)NC(=O)[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-propanoylhexanamide?
The InChIKey is LJOYAAMOFPIBEG-CCXZUQQUSA-N. The full InChI is InChI=1S/C9H17NO7/c1-2-5(13)10-9(17)8(16)7(15)6(14)4(12)3-11/h4,6-8,11-12,14-16H,2-3H2,1H3,(H,10,13,17)/t4-,6-,7+,8-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide has a molecular weight of 251.23 g/mol, XLogP of -3.52, 6 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-propanoylhexanamide is sourced from PubChem (CID 18658603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).