1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea

C12H16N2O5 — CID 57053391

IUPAC1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea
SMILESNC(=O)N(c1ccccc1)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16N2O5/c13-12(18)14(7-4-2-1-3-5-7)11-10(17)9(16)8(15)6-19-11/h1-5,8-11,15-17H,6H2,(H2,13,18)/t8-,9+,10-,11-/m1/s1
InChIKeyGPZFMLHWAOXYHM-LMLFDSFASA-N
MW268.27 g/mol
LogP-0.99
Rot. Bonds2

About 1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea

1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea (PubChem CID 57053391) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea.

Molecular Properties

Compound Name1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea
PubChem CID57053391
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea
SMILESNC(=O)N(c1ccccc1)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H16N2O5/c13-12(18)14(7-4-2-1-3-5-7)11-10(17)9(16)8(15)6-19-11/h1-5,8-11,15-17H,6H2,(H2,13,18)/t8-,9+,10-,11-/m1/s1
InChIKeyGPZFMLHWAOXYHM-LMLFDSFASA-N
XLogP-0.99
TPSA116.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-diphenylurea
CID 174849888
(2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol
CID 124771034
[(2S,3R,4R,5R)-2-chloro-4,5-dihydroxyoxan-3-yl] benzoate
CID 67675297
[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl] benzoate
CID 70302229
2-phenyl-1-[(2S,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]ethanone
CID 57066081
1-(disulfanyl)-1-phenylurea
CID 88741574
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
chloro N-cyclopropyl-N-phenylcarbamate
CID 174185498
(2R)-2-phenoxyoxolane-3,4-diol
CID 18658260
[(2R,3R,4S,5S)-2-benzoyloxy-4,5-dihydroxyoxan-3-yl] benzoate
CID 101108085
N-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 527022
bis(nitric acid);2-phenyloxolane-3,4-diol
CID 88723000

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea?
The IUPAC name of 1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea (CID 57053391) is 1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea.
What is the SMILES notation for 1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea?
The canonical SMILES for 1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea is NC(=O)N(c1ccccc1)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea?
The InChIKey is GPZFMLHWAOXYHM-LMLFDSFASA-N. The full InChI is InChI=1S/C12H16N2O5/c13-12(18)14(7-4-2-1-3-5-7)11-10(17)9(16)8(15)6-19-11/h1-5,8-11,15-17H,6H2,(H2,13,18)/t8-,9+,10-,11-/m1/s1.
What are the key properties of 1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea?
1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea has a molecular weight of 268.27 g/mol, XLogP of -0.99, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea is sourced from PubChem (CID 57053391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).