(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide

C13H19NO7 — CID 7921985

IUPAC(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide
SMILESO=C(Nc1ccccc1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H19NO7/c15-6-8(16)9(17)10(18)11(19)12(20)13(21)14-7-4-2-1-3-5-7/h1-5,8-12,15-20H,6H2,(H,14,21)/t8-,9-,10-,11-,12+/m1/s1
InChIKeySEACQUXQKVWSID-OOCWMUITSA-N
MW301.30 g/mol
LogP-2.58
Rot. Bonds7

About (2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide

(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide (PubChem CID 7921985) has the molecular formula C13H19NO7 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide
PubChem CID7921985
Molecular FormulaC13H19NO7
Molecular Weight301.30 g/mol
Exact Mass301.12
IUPAC Name(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide
SMILESO=C(Nc1ccccc1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H19NO7/c15-6-8(16)9(17)10(18)11(19)12(20)13(21)14-7-4-2-1-3-5-7/h1-5,8-12,15-20H,6H2,(H,14,21)/t8-,9-,10-,11-,12+/m1/s1
InChIKeySEACQUXQKVWSID-OOCWMUITSA-N
XLogP-2.58
TPSA150.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.30
LogP ≤ 5-2.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R)-2,3,4,5-tetrahydroxy-N-phenylpentanamide
CID 54295332
hexane-1,2,3,4,5,6-hexol;phenylcarbamic acid
CID 54607151
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
CID 72548867
(2R,3R,4S,5R,6R)-N-(2-aminophenyl)-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513203
(2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide
CID 54431167
2,3-dihydroxy-N-phenylpropanamide;hydrate
CID 141005572
(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
CID 92529727
(2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
CID 6991445
(2R,3S,4R)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
CID 1097617
(2R,4S,5R,6R)-2,4,5,6,7-pentahydroxy-3-oxo-N'-phenylheptanehydrazide
CID 98572843
(2R,4R,5R,6R)-2,4,5,6,7-pentahydroxy-3-oxo-N'-phenylheptanehydrazide
CID 92532681
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide?
The IUPAC name of (2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide (CID 7921985) is (2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide.
What is the SMILES notation for (2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide?
The canonical SMILES for (2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide is O=C(Nc1ccccc1)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide?
The InChIKey is SEACQUXQKVWSID-OOCWMUITSA-N. The full InChI is InChI=1S/C13H19NO7/c15-6-8(16)9(17)10(18)11(19)12(20)13(21)14-7-4-2-1-3-5-7/h1-5,8-12,15-20H,6H2,(H,14,21)/t8-,9-,10-,11-,12+/m1/s1.
What are the key properties of (2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide?
(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide has a molecular weight of 301.30 g/mol, XLogP of -2.58, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide is sourced from PubChem (CID 7921985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).