(3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione

C17H16O6 — CID 71712789

IUPAC(3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione
SMILESO=C1C[C@@H]2C3=C(O[C@@H](c4ccccc4)CC3=O)[C@H](O)[C@H](O)[C@@H]2O1
InChIInChI=1S/C17H16O6/c18-10-7-11(8-4-2-1-3-5-8)22-17-13(10)9-6-12(19)23-16(9)14(20)15(17)21/h1-5,9,11,14-16,20-21H,6-7H2/t9-,11-,14+,15-,16-/m1/s1
InChIKeyKAOUCQHQSAFJNU-YEIZZHLNSA-N
MW316.31 g/mol
LogP0.64
Rot. Bonds1

About (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione

(3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione (PubChem CID 71712789) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione.

Molecular Properties

Compound Name(3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione
PubChem CID71712789
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name(3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione
SMILESO=C1C[C@@H]2C3=C(O[C@@H](c4ccccc4)CC3=O)[C@H](O)[C@H](O)[C@@H]2O1
InChIInChI=1S/C17H16O6/c18-10-7-11(8-4-2-1-3-5-8)22-17-13(10)9-6-12(19)23-16(9)14(20)15(17)21/h1-5,9,11,14-16,20-21H,6-7H2/t9-,11-,14+,15-,16-/m1/s1
InChIKeyKAOUCQHQSAFJNU-YEIZZHLNSA-N
XLogP0.64
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione?
The IUPAC name of (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione (CID 71712789) is (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione.
What is the SMILES notation for (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione?
The canonical SMILES for (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione is O=C1C[C@@H]2C3=C(O[C@@H](c4ccccc4)CC3=O)[C@H](O)[C@H](O)[C@@H]2O1.
What is the InChIKey of (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione?
The InChIKey is KAOUCQHQSAFJNU-YEIZZHLNSA-N. The full InChI is InChI=1S/C17H16O6/c18-10-7-11(8-4-2-1-3-5-8)22-17-13(10)9-6-12(19)23-16(9)14(20)15(17)21/h1-5,9,11,14-16,20-21H,6-7H2/t9-,11-,14+,15-,16-/m1/s1.
What are the key properties of (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione?
(3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione has a molecular weight of 316.31 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,5R,7R,9bR)-4,5-dihydroxy-7-phenyl-3a,4,5,7,8,9b-hexahydro-1H-furo[3,2-f]chromene-2,9-dione is sourced from PubChem (CID 71712789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).