chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate

C10H28ClO14P3 — CID 175182987

About chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate

chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate (PubChem CID 175182987) has the molecular formula C10H28ClO14P3 and a molecular weight of 500.70 g/mol. Its IUPAC name is chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate.

Molecular Properties

• Compound Name: chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate
• PubChem CID: 175182987
• Molecular Formula: C10H28ClO14P3
• Molecular Weight: 500.70 g/mol
• Exact Mass: 500.04
• IUPAC Name: chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate
• SMILES: O=P(O)(O)OP(=O)(O)O.OCC(CO)(CO)COCC(CO)(CO)CO.PCl
• InChI: InChI=1S/C10H22O7.ClH2P.H4O7P2/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16;1-2;1-8(2,3)7-9(4,5)6/h11-16H,1-8H2;2H2;(H2,1,2,3)(H2,4,5,6)
• InChIKey: QSVNKPSWZJPANC-UHFFFAOYSA-N
• XLogP: -2.87
• TPSA: 254.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.70
LogP ≤ 5	-2.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate?

The IUPAC name of chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate (CID 175182987) is chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate.

What is the SMILES notation for chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate?

The canonical SMILES for chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate is O=P(O)(O)OP(=O)(O)O.OCC(CO)(CO)COCC(CO)(CO)CO.PCl.

What is the InChIKey of chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate?

The InChIKey is QSVNKPSWZJPANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7.ClH2P.H4O7P2/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16;1-2;1-8(2,3)7-9(4,5)6/h11-16H,1-8H2;2H2;(H2,1,2,3)(H2,4,5,6).

What are the key properties of chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate?

chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate has a molecular weight of 500.70 g/mol, XLogP of -2.87, 12 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for chlorophosphane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phosphono dihydrogen phosphate is sourced from PubChem (CID 175182987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).