[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate

C34H35NO11 — CID 159356373

About [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate

[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate (PubChem CID 159356373) has the molecular formula C34H35NO11 and a molecular weight of 633.65 g/mol. Its IUPAC name is [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate.

Molecular Properties

• Compound Name: [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
• PubChem CID: 159356373
• Molecular Formula: C34H35NO11
• Molecular Weight: 633.65 g/mol
• Exact Mass: 633.22
• IUPAC Name: [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
• SMILES: COc1ccc(-c2cccc(C(=O)Cc3c(O)c4ccc(O[C@@H]5OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]5O)c(C)c4oc3=O)c2)cc1
• InChI: InChI=1S/C34H35NO11/c1-17-25(43-32-27(38)29(45-33(35)40)30(42-5)34(2,3)46-32)14-13-22-26(37)23(31(39)44-28(17)22)16-24(36)20-8-6-7-19(15-20)18-9-11-21(41-4)12-10-18/h6-15,27,29-30,32,37-38H,16H2,1-5H3,(H2,35,40)/t27-,29+,30-,32-/m1/s1
• InChIKey: LHYXLHXZOHGUPX-ODOXFGBISA-N
• XLogP: 4.26
• TPSA: 176.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.65
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate?

The IUPAC name of [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate (CID 159356373) is [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate.

What is the SMILES notation for [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate?

The canonical SMILES for [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate is COc1ccc(-c2cccc(C(=O)Cc3c(O)c4ccc(O[C@@H]5OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]5O)c(C)c4oc3=O)c2)cc1.

What is the InChIKey of [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate?

The InChIKey is LHYXLHXZOHGUPX-ODOXFGBISA-N. The full InChI is InChI=1S/C34H35NO11/c1-17-25(43-32-27(38)29(45-33(35)40)30(42-5)34(2,3)46-32)14-13-22-26(37)23(31(39)44-28(17)22)16-24(36)20-8-6-7-19(15-20)18-9-11-21(41-4)12-10-18/h6-15,27,29-30,32,37-38H,16H2,1-5H3,(H2,35,40)/t27-,29+,30-,32-/m1/s1.

What are the key properties of [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate?

[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate has a molecular weight of 633.65 g/mol, XLogP of 4.26, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[2-[3-(4-methoxyphenyl)phenyl]-2-oxoethyl]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate is sourced from PubChem (CID 159356373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).