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

C13H19NO6 — CID 149252911

IUPAC(2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide
SMILESNC(=O)[C@@](O)(Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H19NO6/c14-12(19)13(20,6-8-4-2-1-3-5-8)11(18)10(17)9(16)7-15/h1-5,9-11,15-18,20H,6-7H2,(H2,14,19)/t9-,10-,11+,13-/m1/s1
InChIKeySIUBTMOEGXZZLQ-HNCHTBHHSA-N
MW285.30 g/mol
LogP-2.48
Rot. Bonds7

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

(2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 149252911) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID149252911
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Name(2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide
SMILESNC(=O)[C@@](O)(Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H19NO6/c14-12(19)13(20,6-8-4-2-1-3-5-8)11(18)10(17)9(16)7-15/h1-5,9-11,15-18,20H,6-7H2,(H2,14,19)/t9-,10-,11+,13-/m1/s1
InChIKeySIUBTMOEGXZZLQ-HNCHTBHHSA-N
XLogP-2.48
TPSA144.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.30
LogP ≤ 5-2.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide with MolForge

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Related Compounds

(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2S)-2-benzyl-2,3-dihydroxypropanamide
CID 67629888
[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] 2-phenylacetate
CID 67583386
9H-fluoren-9-ylmethyl (2R,3S,4R,5R)-2-carbamoyl-2,3,4,5,6-pentahydroxyhexanoate
CID 139904574
[(4-amino-3-benzyl-2,3-dihydroxy-4-oxobutanoyl)amino] 4-phenylbutanoate
CID 174556181
(3S,4S,5R,6R)-3-bromo-3,4,5,6,7-pentahydroxy-1-phenylheptane-1,2-dione
CID 54052070
(3S)-3-amino-2-benzyl-2-hydroxybutanedioic acid
CID 123310033
(2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid
CID 163211863
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961
2,2-dichloro-3-phenylpropanamide
CID 21425793
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]propanedioic acid
CID 22856678

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of (2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide (CID 149252911) is (2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide is NC(=O)[C@@](O)(Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is SIUBTMOEGXZZLQ-HNCHTBHHSA-N. The full InChI is InChI=1S/C13H19NO6/c14-12(19)13(20,6-8-4-2-1-3-5-8)11(18)10(17)9(16)7-15/h1-5,9-11,15-18,20H,6-7H2,(H2,14,19)/t9-,10-,11+,13-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide?
(2R,3S,4R,5R)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 285.30 g/mol, XLogP of -2.48, 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)-2-benzyl-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 149252911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).