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

C13H19NO7 — CID 72548867

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C13H19NO7/c1-21-8-4-2-7(3-5-8)14-13(20)12(19)11(18)10(17)9(16)6-15/h2-5,9-12,15-19H,6H2,1H3,(H,14,20)/t9-,10-,11+,12-/m1/s1
InChIKeyBMNQACRNCRKRPE-WISYIIOYSA-N
MW301.30 g/mol
LogP-1.93
Rot. Bonds7

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

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide (PubChem CID 72548867) has the molecular formula C13H19NO7 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
PubChem CID72548867
Molecular FormulaC13H19NO7
Molecular Weight301.30 g/mol
Exact Mass301.12
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C13H19NO7/c1-21-8-4-2-7(3-5-8)14-13(20)12(19)11(18)10(17)9(16)6-15/h2-5,9-12,15-19H,6H2,1H3,(H,14,20)/t9-,10-,11+,12-/m1/s1
InChIKeyBMNQACRNCRKRPE-WISYIIOYSA-N
XLogP-1.93
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide with MolForge

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Related Compounds

(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide
CID 129145601
(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide
CID 7921985
(2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide
CID 54431167
(2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
CID 6991445
(2R,3R,4R)-2,3,4,5-tetrahydroxy-N-phenylpentanamide
CID 54295332
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11087415
(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide
CID 11777634
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
(2S,3R,4R)-2,3,4,5-tetrahydroxy-N'-(3-methoxyphenyl)pentanehydrazide
CID 131874259
1,3-bis(4-methoxyphenyl)urea
CID 139045428
[4-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxyphenyl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 67241631

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide (CID 72548867) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide is COc1ccc(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide?
The InChIKey is BMNQACRNCRKRPE-WISYIIOYSA-N. The full InChI is InChI=1S/C13H19NO7/c1-21-8-4-2-7(3-5-8)14-13(20)12(19)11(18)10(17)9(16)6-15/h2-5,9-12,15-19H,6H2,1H3,(H,14,20)/t9-,10-,11+,12-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide has a molecular weight of 301.30 g/mol, XLogP of -1.93, 7 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-(4-methoxyphenyl)hexanamide is sourced from PubChem (CID 72548867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).