[(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate

C15H19NO7 — CID 69284149

IUPAC[(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H](C(N)=O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C15H19NO7/c1-8(17)22-15-11(19)12(10(18)13(23-15)14(16)20)21-7-9-5-3-2-4-6-9/h2-6,10-13,15,18-19H,7H2,1H3,(H2,16,20)/t10-,11+,12-,13+,15-/m0/s1
InChIKeyGVACZOCHGPGKLM-ARUSPNSKSA-N
MW325.32 g/mol
LogP-0.93
Rot. Bonds5

About [(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate

[(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate (PubChem CID 69284149) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate
PubChem CID69284149
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name[(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H](C(N)=O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C15H19NO7/c1-8(17)22-15-11(19)12(10(18)13(23-15)14(16)20)21-7-9-5-3-2-4-6-9/h2-6,10-13,15,18-19H,7H2,1H3,(H2,16,20)/t10-,11+,12-,13+,15-/m0/s1
InChIKeyGVACZOCHGPGKLM-ARUSPNSKSA-N
XLogP-0.93
TPSA128.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate?
The IUPAC name of [(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate (CID 69284149) is [(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate is CC(=O)O[C@H]1O[C@@H](C(N)=O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1O.
What is the InChIKey of [(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate?
The InChIKey is GVACZOCHGPGKLM-ARUSPNSKSA-N. The full InChI is InChI=1S/C15H19NO7/c1-8(17)22-15-11(19)12(10(18)13(23-15)14(16)20)21-7-9-5-3-2-4-6-9/h2-6,10-13,15,18-19H,7H2,1H3,(H2,16,20)/t10-,11+,12-,13+,15-/m0/s1.
What are the key properties of [(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate?
[(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate has a molecular weight of 325.32 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6R)-6-carbamoyl-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl] acetate is sourced from PubChem (CID 69284149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).