(3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C19H30O3P2 — CID 118327084

IUPAC(3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESC[C@@H]1C[C@@H]2OC(O)C[C@@H]2[C@H]1CC[C@H](CCc1ccccc1)OPP
InChIInChI=1S/C19H30O3P2/c1-13-11-18-17(12-19(20)21-18)16(13)10-9-15(22-24-23)8-7-14-5-3-2-4-6-14/h2-6,13,15-20,24H,7-12,23H2,1H3/t13-,15+,16+,17-,18+,19?/m1/s1
InChIKeyGTQUYXNKYOUPHF-UBKSZCNJSA-N
MW368.39 g/mol
LogP4.55
Rot. Bonds8

About (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

(3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 118327084) has the molecular formula C19H30O3P2 and a molecular weight of 368.39 g/mol. Its IUPAC name is (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID118327084
Molecular FormulaC19H30O3P2
Molecular Weight368.39 g/mol
Exact Mass368.17
IUPAC Name(3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESC[C@@H]1C[C@@H]2OC(O)C[C@@H]2[C@H]1CC[C@H](CCc1ccccc1)OPP
InChIInChI=1S/C19H30O3P2/c1-13-11-18-17(12-19(20)21-18)16(13)10-9-15(22-24-23)8-7-14-5-3-2-4-6-14/h2-6,13,15-20,24H,7-12,23H2,1H3/t13-,15+,16+,17-,18+,19?/m1/s1
InChIKeyGTQUYXNKYOUPHF-UBKSZCNJSA-N
XLogP4.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 118327084) is (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is C[C@@H]1C[C@@H]2OC(O)C[C@@H]2[C@H]1CC[C@H](CCc1ccccc1)OPP.
What is the InChIKey of (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is GTQUYXNKYOUPHF-UBKSZCNJSA-N. The full InChI is InChI=1S/C19H30O3P2/c1-13-11-18-17(12-19(20)21-18)16(13)10-9-15(22-24-23)8-7-14-5-3-2-4-6-14/h2-6,13,15-20,24H,7-12,23H2,1H3/t13-,15+,16+,17-,18+,19?/m1/s1.
What are the key properties of (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
(3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 368.39 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,5R,6aS)-4-[(3R)-3-(diphosphanyloxy)-5-phenylpentyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 118327084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).