(3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C24H41BO4P2Si — CID 58785122

About (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 58785122) has the molecular formula C24H41BO4P2Si and a molecular weight of 494.43 g/mol. Its IUPAC name is (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

• Compound Name: (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
• PubChem CID: 58785122
• Molecular Formula: C24H41BO4P2Si
• Molecular Weight: 494.43 g/mol
• Exact Mass: 494.23
• IUPAC Name: (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H](CCc1ccccc1)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1OB(P)P
• InChI: InChI=1S/C24H41BO4P2Si/c1-24(2,3)32(4,5)29-18(12-11-17-9-7-6-8-10-17)13-14-19-20-15-23(26)27-21(20)16-22(19)28-25(30)31/h6-10,18-22H,11-16,30-31H2,1-5H3/t18-,19+,20+,21-,22+/m0/s1
• InChIKey: GYZDIMMGMFDZHU-AHJNKEMKSA-N
• XLogP: 5.86
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.43
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?

The IUPAC name of (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 58785122) is (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

What is the SMILES notation for (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?

The canonical SMILES for (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CC(C)(C)[Si](C)(C)O[C@@H](CCc1ccccc1)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1OB(P)P.

What is the InChIKey of (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?

The InChIKey is GYZDIMMGMFDZHU-AHJNKEMKSA-N. The full InChI is InChI=1S/C24H41BO4P2Si/c1-24(2,3)32(4,5)29-18(12-11-17-9-7-6-8-10-17)13-14-19-20-15-23(26)27-21(20)16-22(19)28-25(30)31/h6-10,18-22H,11-16,30-31H2,1-5H3/t18-,19+,20+,21-,22+/m0/s1.

What are the key properties of (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?

(3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 494.43 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 58785122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).