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

C14H19NO7 — CID 51136574

IUPAC(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide
SMILESNC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C14H19NO7/c15-13(20)12(7-4-2-1-3-5-7)22-14-11(19)10(18)9(17)8(6-16)21-14/h1-5,8-12,14,16-19H,6H2,(H2,15,20)/t8-,9-,10+,11-,12-,14+/m1/s1
InChIKeySKIWWRXWLIRPOP-SGYGPSCOSA-N
MW313.31 g/mol
LogP-1.97
Rot. Bonds5

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

(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide (PubChem CID 51136574) has the molecular formula C14H19NO7 and a molecular weight of 313.31 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide
PubChem CID51136574
Molecular FormulaC14H19NO7
Molecular Weight313.31 g/mol
Exact Mass313.12
IUPAC Name(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide
SMILESNC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C14H19NO7/c15-13(20)12(7-4-2-1-3-5-7)22-14-11(19)10(18)9(17)8(6-16)21-14/h1-5,8-12,14,16-19H,6H2,(H2,15,20)/t8-,9-,10+,11-,12-,14+/m1/s1
InChIKeySKIWWRXWLIRPOP-SGYGPSCOSA-N
XLogP-1.97
TPSA142.47 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-1.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide?
The IUPAC name of (2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide (CID 51136574) is (2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide.
What is the SMILES notation for (2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide?
The canonical SMILES for (2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide is NC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide?
The InChIKey is SKIWWRXWLIRPOP-SGYGPSCOSA-N. The full InChI is InChI=1S/C14H19NO7/c15-13(20)12(7-4-2-1-3-5-7)22-14-11(19)10(18)9(17)8(6-16)21-14/h1-5,8-12,14,16-19H,6H2,(H2,15,20)/t8-,9-,10+,11-,12-,14+/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide?
(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide has a molecular weight of 313.31 g/mol, XLogP of -1.97, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetamide is sourced from PubChem (CID 51136574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).