(3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

C27H34O7 — CID 162924053

IUPAC(3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cc2c(cc1CCCO)OC[C@@H]([C@@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)[C@H]2O
InChIInChI=1S/C27H34O7/c1-31-24-13-20-25(11-16(24)5-4-10-28)33-15-22(27(20)30)21-14-32-23-9-8-18(12-19(23)26(21)29)34-17-6-2-3-7-17/h8-9,11-13,17,21-22,26-30H,2-7,10,14-15H2,1H3/t21-,22-,26+,27-/m0/s1
InChIKeyFEAGGOLUEOKSQW-ABMRFVCESA-N
MW470.56 g/mol
LogP3.73
Rot. Bonds7

About (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

(3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 162924053) has the molecular formula C27H34O7 and a molecular weight of 470.56 g/mol. Its IUPAC name is (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID162924053
Molecular FormulaC27H34O7
Molecular Weight470.56 g/mol
Exact Mass470.23
IUPAC Name(3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cc2c(cc1CCCO)OC[C@@H]([C@@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)[C@H]2O
InChIInChI=1S/C27H34O7/c1-31-24-13-20-25(11-16(24)5-4-10-28)33-15-22(27(20)30)21-14-32-23-9-8-18(12-19(23)26(21)29)34-17-6-2-3-7-17/h8-9,11-13,17,21-22,26-30H,2-7,10,14-15H2,1H3/t21-,22-,26+,27-/m0/s1
InChIKeyFEAGGOLUEOKSQW-ABMRFVCESA-N
XLogP3.73
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 162924053) is (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1cc2c(cc1CCCO)OC[C@@H]([C@@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)[C@H]2O.
What is the InChIKey of (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is FEAGGOLUEOKSQW-ABMRFVCESA-N. The full InChI is InChI=1S/C27H34O7/c1-31-24-13-20-25(11-16(24)5-4-10-28)33-15-22(27(20)30)21-14-32-23-9-8-18(12-19(23)26(21)29)34-17-6-2-3-7-17/h8-9,11-13,17,21-22,26-30H,2-7,10,14-15H2,1H3/t21-,22-,26+,27-/m0/s1.
What are the key properties of (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
(3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 470.56 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(3R,4S)-6-cyclopentyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-7-(3-hydroxypropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 162924053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).