[(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol

C30H34O7 — CID 45482095

IUPAC[(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol
SMILESCO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@@H](OCc3ccccc3)CO[C@@H]12
InChIInChI=1S/C30H34O7/c1-32-29-28-30(36-20-24-15-9-4-10-16-24,26(21-35-28)33-18-22-11-5-2-6-12-22)27(25(17-31)37-29)34-19-23-13-7-3-8-14-23/h2-16,25-29,31H,17-21H2,1H3/t25-,26+,27-,28+,29+,30+/m1/s1
InChIKeyKRNCSPAEWZMMNR-DYXWLRBRSA-N
MW506.60 g/mol
LogP3.88
Rot. Bonds11

About [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol

[(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol (PubChem CID 45482095) has the molecular formula C30H34O7 and a molecular weight of 506.60 g/mol. Its IUPAC name is [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol.

Molecular Properties

Compound Name[(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol
PubChem CID45482095
Molecular FormulaC30H34O7
Molecular Weight506.60 g/mol
Exact Mass506.23
IUPAC Name[(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol
SMILESCO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@@H](OCc3ccccc3)CO[C@@H]12
InChIInChI=1S/C30H34O7/c1-32-29-28-30(36-20-24-15-9-4-10-16-24,26(21-35-28)33-18-22-11-5-2-6-12-22)27(25(17-31)37-29)34-19-23-13-7-3-8-14-23/h2-16,25-29,31H,17-21H2,1H3/t25-,26+,27-,28+,29+,30+/m1/s1
InChIKeyKRNCSPAEWZMMNR-DYXWLRBRSA-N
XLogP3.88
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol?
The IUPAC name of [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol (CID 45482095) is [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol.
What is the SMILES notation for [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol?
The canonical SMILES for [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol is CO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@@H](OCc3ccccc3)CO[C@@H]12.
What is the InChIKey of [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol?
The InChIKey is KRNCSPAEWZMMNR-DYXWLRBRSA-N. The full InChI is InChI=1S/C30H34O7/c1-32-29-28-30(36-20-24-15-9-4-10-16-24,26(21-35-28)33-18-22-11-5-2-6-12-22)27(25(17-31)37-29)34-19-23-13-7-3-8-14-23/h2-16,25-29,31H,17-21H2,1H3/t25-,26+,27-,28+,29+,30+/m1/s1.
What are the key properties of [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol?
[(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol has a molecular weight of 506.60 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,4R,5R,7S,7aR)-7-methoxy-3,3a,4-tris(phenylmethoxy)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]methanol is sourced from PubChem (CID 45482095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).