dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite

C6H17O8P3 — CID 129118134

IUPACdihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite
SMILESCCCC(COP(O)OP(O)OP(O)O)OC
InChIInChI=1S/C6H17O8P3/c1-3-4-6(11-2)5-12-16(9)14-17(10)13-15(7)8/h6-10H,3-5H2,1-2H3
InChIKeyAXGPAXTWOVPLRE-UHFFFAOYSA-N
MW310.12 g/mol
LogP1.50
Rot. Bonds10

About dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite

dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite (PubChem CID 129118134) has the molecular formula C6H17O8P3 and a molecular weight of 310.12 g/mol. Its IUPAC name is dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite.

Molecular Properties

Compound Namedihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite
PubChem CID129118134
Molecular FormulaC6H17O8P3
Molecular Weight310.12 g/mol
Exact Mass310.01
IUPAC Namedihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite
SMILESCCCC(COP(O)OP(O)OP(O)O)OC
InChIInChI=1S/C6H17O8P3/c1-3-4-6(11-2)5-12-16(9)14-17(10)13-15(7)8/h6-10H,3-5H2,1-2H3
InChIKeyAXGPAXTWOVPLRE-UHFFFAOYSA-N
XLogP1.50
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite?
The IUPAC name of dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite (CID 129118134) is dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite.
What is the SMILES notation for dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite?
The canonical SMILES for dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite is CCCC(COP(O)OP(O)OP(O)O)OC.
What is the InChIKey of dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite?
The InChIKey is AXGPAXTWOVPLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17O8P3/c1-3-4-6(11-2)5-12-16(9)14-17(10)13-15(7)8/h6-10H,3-5H2,1-2H3.
What are the key properties of dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite?
dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite has a molecular weight of 310.12 g/mol, XLogP of 1.50, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl [hydroxy(2-methoxypentoxy)phosphanyl] hydrogen phosphite is sourced from PubChem (CID 129118134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).