(2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol

C32H30O4 — CID 15650117

IUPAC(2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol
SMILESC[C@H]1[C@@]2(c3ccccc3)O[C@](O)(c3ccccc3)[C@@H](C)[C@@]2(c2ccccc2)O[C@]1(O)c1ccccc1
InChIInChI=1S/C32H30O4/c1-23-29(25-15-7-3-8-16-25)30(26-17-9-4-10-18-26,36-31(23,33)27-19-11-5-12-20-27)24(2)32(34,35-29)28-21-13-6-14-22-28/h3-24,33-34H,1-2H3/t23-,24-,29-,30-,31-,32-/m0/s1
InChIKeyJVOQHWMKSBULGM-RRXIKBFASA-N
MW478.59 g/mol
LogP5.80
Rot. Bonds4

About (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol

(2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol (PubChem CID 15650117) has the molecular formula C32H30O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol.

Molecular Properties

Compound Name(2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol
PubChem CID15650117
Molecular FormulaC32H30O4
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC Name(2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol
SMILESC[C@H]1[C@@]2(c3ccccc3)O[C@](O)(c3ccccc3)[C@@H](C)[C@@]2(c2ccccc2)O[C@]1(O)c1ccccc1
InChIInChI=1S/C32H30O4/c1-23-29(25-15-7-3-8-16-25)30(26-17-9-4-10-18-26,36-31(23,33)27-19-11-5-12-20-27)24(2)32(34,35-29)28-21-13-6-14-22-28/h3-24,33-34H,1-2H3/t23-,24-,29-,30-,31-,32-/m0/s1
InChIKeyJVOQHWMKSBULGM-RRXIKBFASA-N
XLogP5.80
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol?
The IUPAC name of (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol (CID 15650117) is (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol.
What is the SMILES notation for (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol?
The canonical SMILES for (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol is C[C@H]1[C@@]2(c3ccccc3)O[C@](O)(c3ccccc3)[C@@H](C)[C@@]2(c2ccccc2)O[C@]1(O)c1ccccc1.
What is the InChIKey of (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol?
The InChIKey is JVOQHWMKSBULGM-RRXIKBFASA-N. The full InChI is InChI=1S/C32H30O4/c1-23-29(25-15-7-3-8-16-25)30(26-17-9-4-10-18-26,36-31(23,33)27-19-11-5-12-20-27)24(2)32(34,35-29)28-21-13-6-14-22-28/h3-24,33-34H,1-2H3/t23-,24-,29-,30-,31-,32-/m0/s1.
What are the key properties of (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol?
(2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol has a molecular weight of 478.59 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,3aS,5S,6S,6aS)-3,6-dimethyl-2,3a,5,6a-tetraphenyl-3,6-dihydrofuro[3,2-b]furan-2,5-diol is sourced from PubChem (CID 15650117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).