2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

C14H19NO6 — CID 46232800

IUPAC2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILESO=C(Cc1ccccc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H19NO6/c16-7-9-11(18)12(19)13(20)14(21-9)15-10(17)6-8-4-2-1-3-5-8/h1-5,9,11-14,16,18-20H,6-7H2,(H,15,17)/t9-,11-,12+,13-,14-/m1/s1
InChIKeyDCOSGHYDXOSEHQ-RGCYKPLRSA-N
MW297.31 g/mol
LogP-1.85
Rot. Bonds4

About 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide (PubChem CID 46232800) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
PubChem CID46232800
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILESO=C(Cc1ccccc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H19NO6/c16-7-9-11(18)12(19)13(20)14(21-9)15-10(17)6-8-4-2-1-3-5-8/h1-5,9,11-14,16,18-20H,6-7H2,(H,15,17)/t9-,11-,12+,13-,14-/m1/s1
InChIKeyDCOSGHYDXOSEHQ-RGCYKPLRSA-N
XLogP-1.85
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide with MolForge

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Related Compounds

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CID 446600
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6-deoxy-N-(2-phenylethyl)hexopyranosylamine
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2-Phenylethylamine glucuronide
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N-[4-(5,6,7,8-Tetrahydronaphthalen-2-Yl)butanoyl]-Beta-D-Glucopyranosylamine
CID 76210613
N-[(3r)-3-(4-Ethylphenyl)butanoyl]-Beta-D-Glucopyranosylamine
CID 76210614
N-{(2e)-3-[4-(Propan-2-Yl)phenyl]prop-2-Enoyl}-Beta-D-Glucopyranosylamine
CID 101902451
N-[(2e)-3-(Biphenyl-4-Yl)prop-2-Enoyl]-Beta-D-Glucopyranosylamine
CID 118710051
N-(alpha-L-Fucopyranosyl)benzamide
CID 165416412
(E)-3-phenyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]prop-2-enamide
CID 168279987
N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168282777

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide (CID 46232800) is 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide is O=C(Cc1ccccc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
The InChIKey is DCOSGHYDXOSEHQ-RGCYKPLRSA-N. The full InChI is InChI=1S/C14H19NO6/c16-7-9-11(18)12(19)13(20)14(21-9)15-10(17)6-8-4-2-1-3-5-8/h1-5,9,11-14,16,18-20H,6-7H2,(H,15,17)/t9-,11-,12+,13-,14-/m1/s1.
What are the key properties of 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide?
2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide has a molecular weight of 297.31 g/mol, XLogP of -1.85, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide is sourced from PubChem (CID 46232800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).