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

C20H22O6 — CID 15894287

IUPAC(3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2
InChIInChI=1S/C20H22O6/c1-23-11-3-5-17-13(7-11)19(21)15(9-25-17)16-10-26-18-6-4-12(24-2)8-14(18)20(16)22/h3-8,15-16,19-22H,9-10H2,1-2H3/t15-,16+,19-,20+
InChIKeyANVSINVPZBSBDR-NFQUHZNNSA-N
MW358.39 g/mol
LogP2.49
Rot. Bonds3

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

(3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 15894287) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is (3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID15894287
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name(3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2
InChIInChI=1S/C20H22O6/c1-23-11-3-5-17-13(7-11)19(21)15(9-25-17)16-10-26-18-6-4-12(24-2)8-14(18)20(16)22/h3-8,15-16,19-22H,9-10H2,1-2H3/t15-,16+,19-,20+
InChIKeyANVSINVPZBSBDR-NFQUHZNNSA-N
XLogP2.49
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 15894287) is (3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2.
What is the InChIKey of (3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ANVSINVPZBSBDR-NFQUHZNNSA-N. The full InChI is InChI=1S/C20H22O6/c1-23-11-3-5-17-13(7-11)19(21)15(9-25-17)16-10-26-18-6-4-12(24-2)8-14(18)20(16)22/h3-8,15-16,19-22H,9-10H2,1-2H3/t15-,16+,19-,20+.
What are the key properties of (3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
(3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 358.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 15894287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).