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

C20H29NO12 — CID 11248520

IUPAC2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide
SMILESNC(=O)C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C20H29NO12/c21-18(29)17(8-4-2-1-3-5-8)33-20-16(28)14(26)12(24)10(32-20)7-30-19-15(27)13(25)11(23)9(6-22)31-19/h1-5,9-17,19-20,22-28H,6-7H2,(H2,21,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17?,19-,20+/m1/s1
InChIKeyOCQMNDCGKQJTNY-BVXMNXTGSA-N
MW475.45 g/mol
LogP-4.15
Rot. Bonds8

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

2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide (PubChem CID 11248520) has the molecular formula C20H29NO12 and a molecular weight of 475.45 g/mol. Its IUPAC name is 2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide
PubChem CID11248520
Molecular FormulaC20H29NO12
Molecular Weight475.45 g/mol
Exact Mass475.17
IUPAC Name2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide
SMILESNC(=O)C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C20H29NO12/c21-18(29)17(8-4-2-1-3-5-8)33-20-16(28)14(26)12(24)10(32-20)7-30-19-15(27)13(25)11(23)9(6-22)31-19/h1-5,9-17,19-20,22-28H,6-7H2,(H2,21,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17?,19-,20+/m1/s1
InChIKeyOCQMNDCGKQJTNY-BVXMNXTGSA-N
XLogP-4.15
TPSA221.62 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500475.45
LogP ≤ 5-4.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide?
The IUPAC name of 2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide (CID 11248520) is 2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide.
What is the SMILES notation for 2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide?
The canonical SMILES for 2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide is NC(=O)C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide?
The InChIKey is OCQMNDCGKQJTNY-BVXMNXTGSA-N. The full InChI is InChI=1S/C20H29NO12/c21-18(29)17(8-4-2-1-3-5-8)33-20-16(28)14(26)12(24)10(32-20)7-30-19-15(27)13(25)11(23)9(6-22)31-19/h1-5,9-17,19-20,22-28H,6-7H2,(H2,21,29)/t9-,10-,11-,12-,13+,14+,15-,16-,17?,19-,20+/m1/s1.
What are the key properties of 2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide?
2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide has a molecular weight of 475.45 g/mol, XLogP of -4.15, 8 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetamide is sourced from PubChem (CID 11248520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).