5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid

C15H19NO7 — CID 162992516

IUPAC5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid
SMILESCC(=O)NC1C(O)OC(C(=O)O)C(OCc2ccccc2)C1O
InChIInChI=1S/C15H19NO7/c1-8(17)16-10-11(18)12(13(14(19)20)23-15(10)21)22-7-9-5-3-2-4-6-9/h2-6,10-13,15,18,21H,7H2,1H3,(H,16,17)(H,19,20)
InChIKeyXDLMBWUZGKWYJU-UHFFFAOYSA-N
MW325.32 g/mol
LogP-0.76
Rot. Bonds5

About 5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid

5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid (PubChem CID 162992516) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid
PubChem CID162992516
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid
SMILESCC(=O)NC1C(O)OC(C(=O)O)C(OCc2ccccc2)C1O
InChIInChI=1S/C15H19NO7/c1-8(17)16-10-11(18)12(13(14(19)20)23-15(10)21)22-7-9-5-3-2-4-6-9/h2-6,10-13,15,18,21H,7H2,1H3,(H,16,17)(H,19,20)
InChIKeyXDLMBWUZGKWYJU-UHFFFAOYSA-N
XLogP-0.76
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-phenylmethoxyoxane-2-carboxylic acid
CID 23820291
N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2,5-bis(phenylmethoxy)oxan-3-yl]acetamide
CID 23266984
N-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 124526322
N-[(2S,3R,4R,5R,6S)-5-hydroxy-6-methyl-2,4-bis(phenylmethoxy)oxan-3-yl]acetamide
CID 52912718
(2R,3S,4S,5R)-3,6-dihydroxy-5-methoxy-4-phenylmethoxyoxane-2-carboxylic acid
CID 68806241
N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 72762659
[(2R,3S,4R,5S,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl] methanesulfonate
CID 125029876
methyl (2R,3S,4R,5R,6S)-3-acetyloxy-5,6-dihydroxy-4-phenylmethoxyoxane-2-carboxylate
CID 140665819
(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-2-[(4-methylphenyl)methoxymethyl]-3,6-bis(phenylmethoxy)oxan-4-yl]oxy-5-hydroxy-3,4-bis(phenylmethoxy)oxane-2-carboxylic acid
CID 100950357
N-[(4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 172641817
N-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11888392
N-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
CID 11870400

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid?
The IUPAC name of 5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid (CID 162992516) is 5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid.
What is the SMILES notation for 5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid?
The canonical SMILES for 5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid is CC(=O)NC1C(O)OC(C(=O)O)C(OCc2ccccc2)C1O.
What is the InChIKey of 5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid?
The InChIKey is XDLMBWUZGKWYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO7/c1-8(17)16-10-11(18)12(13(14(19)20)23-15(10)21)22-7-9-5-3-2-4-6-9/h2-6,10-13,15,18,21H,7H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid?
5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4,6-dihydroxy-3-phenylmethoxyoxane-2-carboxylic acid is sourced from PubChem (CID 162992516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).