(2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one

C27H31NO7 — CID 163064844

About (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one

(2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one (PubChem CID 163064844) has the molecular formula C27H31NO7 and a molecular weight of 481.55 g/mol. Its IUPAC name is (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one.

Molecular Properties

• Compound Name: (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
• PubChem CID: 163064844
• Molecular Formula: C27H31NO7
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.21
• IUPAC Name: (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
• SMILES: CC(C)(O)[C@H]1Cc2c(cc3oc(CO)c(Cc4ccc(NO)cc4)c(=O)c3c2OC2CCCC2)O1
• InChI: InChI=1S/C27H31NO7/c1-27(2,31)23-12-19-20(35-23)13-21-24(26(19)33-17-5-3-4-6-17)25(30)18(22(14-29)34-21)11-15-7-9-16(28-32)10-8-15/h7-10,13,17,23,28-29,31-32H,3-6,11-12,14H2,1-2H3/t23-/m1/s1
• InChIKey: QRYKQYIUYXRNKT-HSZRJFAPSA-N
• XLogP: 4.07
• TPSA: 121.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one?

The IUPAC name of (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one (CID 163064844) is (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one.

What is the SMILES notation for (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one?

The canonical SMILES for (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one is CC(C)(O)[C@H]1Cc2c(cc3oc(CO)c(Cc4ccc(NO)cc4)c(=O)c3c2OC2CCCC2)O1.

What is the InChIKey of (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one?

The InChIKey is QRYKQYIUYXRNKT-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H31NO7/c1-27(2,31)23-12-19-20(35-23)13-21-24(26(19)33-17-5-3-4-6-17)25(30)18(22(14-29)34-21)11-15-7-9-16(28-32)10-8-15/h7-10,13,17,23,28-29,31-32H,3-6,11-12,14H2,1-2H3/t23-/m1/s1.

What are the key properties of (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one?

(2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one has a molecular weight of 481.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-cyclopentyloxy-6-[[4-(hydroxyamino)phenyl]methyl]-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 163064844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).