(4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C8H17O4P5 — CID 59958177

IUPAC(4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1CC2C(CC(OP)[C@@H]2COP(P)PP)O1
InChIInChI=1S/C8H17O4P5/c9-8-1-4-5(3-10-17(15)16-14)7(12-13)2-6(4)11-8/h4-7,16H,1-3,13-15H2/t4?,5-,6?,7?,17?/m1/s1
InChIKeyTYQYLTWKGSLAED-RXPCEXGISA-N
MW332.09 g/mol
LogP2.70
Rot. Bonds5

About (4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 59958177) has the molecular formula C8H17O4P5 and a molecular weight of 332.09 g/mol. Its IUPAC name is (4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID59958177
Molecular FormulaC8H17O4P5
Molecular Weight332.09 g/mol
Exact Mass331.98
IUPAC Name(4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1CC2C(CC(OP)[C@@H]2COP(P)PP)O1
InChIInChI=1S/C8H17O4P5/c9-8-1-4-5(3-10-17(15)16-14)7(12-13)2-6(4)11-8/h4-7,16H,1-3,13-15H2/t4?,5-,6?,7?,17?/m1/s1
InChIKeyTYQYLTWKGSLAED-RXPCEXGISA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.09
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 59958177) is (4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is O=C1CC2C(CC(OP)[C@@H]2COP(P)PP)O1.
What is the InChIKey of (4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is TYQYLTWKGSLAED-RXPCEXGISA-N. The full InChI is InChI=1S/C8H17O4P5/c9-8-1-4-5(3-10-17(15)16-14)7(12-13)2-6(4)11-8/h4-7,16H,1-3,13-15H2/t4?,5-,6?,7?,17?/m1/s1.
What are the key properties of (4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 332.09 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[diphosphanyl(phosphanyl)phosphanyl]oxymethyl]-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 59958177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).