phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

C13H17NO6 — CID 166975430

IUPACphenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
SMILESO=C(N[C@@H]1COC(CO)C(O)C1O)Oc1ccccc1
InChIInChI=1S/C13H17NO6/c15-6-10-12(17)11(16)9(7-19-10)14-13(18)20-8-4-2-1-3-5-8/h1-5,9-12,15-17H,6-7H2,(H,14,18)/t9-,10?,11?,12?/m1/s1
InChIKeyXHSGMZBEEISNBZ-QBWABLMJSA-N
MW283.28 g/mol
LogP-0.74
Rot. Bonds3

About phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate (PubChem CID 166975430) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
PubChem CID166975430
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namephenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
SMILESO=C(N[C@@H]1COC(CO)C(O)C1O)Oc1ccccc1
InChIInChI=1S/C13H17NO6/c15-6-10-12(17)11(16)9(7-19-10)14-13(18)20-8-4-2-1-3-5-8/h1-5,9-12,15-17H,6-7H2,(H,14,18)/t9-,10?,11?,12?/m1/s1
InChIKeyXHSGMZBEEISNBZ-QBWABLMJSA-N
XLogP-0.74
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide
CID 142264713
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
phenyl N-(oxan-4-yl)carbamate
CID 61067434
N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;methoxymethane
CID 155732259
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
phenyl N-cyclopentylcarbamate
CID 12791466
N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide
CID 162969601
2,2,2-trifluoro-N-[(3S,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl]acetamide
CID 176815952
phenyl N-cyclooctylcarbamate
CID 60636968
(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;methyl 2-hydroxybenzoate
CID 174972702
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
The IUPAC name of phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate (CID 166975430) is phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate.
What is the SMILES notation for phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
The canonical SMILES for phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate is O=C(N[C@@H]1COC(CO)C(O)C1O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
The InChIKey is XHSGMZBEEISNBZ-QBWABLMJSA-N. The full InChI is InChI=1S/C13H17NO6/c15-6-10-12(17)11(16)9(7-19-10)14-13(18)20-8-4-2-1-3-5-8/h1-5,9-12,15-17H,6-7H2,(H,14,18)/t9-,10?,11?,12?/m1/s1.
What are the key properties of phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate?
phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate has a molecular weight of 283.28 g/mol, XLogP of -0.74, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate is sourced from PubChem (CID 166975430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).