[bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium

C8H20O10P5+3 — CID 167601012

IUPAC[bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium
SMILESCOC(C)(C)OP(=O)(CP(=O)(O[P+](C)=O)O[P+](C)=O)O[P+](C)=O
InChIInChI=1S/C8H20O10P5/c1-8(2,14-3)15-22(12,16-19(4)9)7-23(13,17-20(5)10)18-21(6)11/h7H2,1-6H3/q+3
InChIKeyVZYOLOGCRAAGRE-UHFFFAOYSA-N
MW431.11 g/mol
LogP4.90
Rot. Bonds11

About [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium

[bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium (PubChem CID 167601012) has the molecular formula C8H20O10P5+3 and a molecular weight of 431.11 g/mol. Its IUPAC name is [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium.

Molecular Properties

Compound Name[bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium
PubChem CID167601012
Molecular FormulaC8H20O10P5+3
Molecular Weight431.11 g/mol
Exact Mass430.97
IUPAC Name[bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium
SMILESCOC(C)(C)OP(=O)(CP(=O)(O[P+](C)=O)O[P+](C)=O)O[P+](C)=O
InChIInChI=1S/C8H20O10P5/c1-8(2,14-3)15-22(12,16-19(4)9)7-23(13,17-20(5)10)18-21(6)11/h7H2,1-6H3/q+3
InChIKeyVZYOLOGCRAAGRE-UHFFFAOYSA-N
XLogP4.90
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.11
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxypropan-2-yloxy(methyl)phosphinic acid
CID 23387602
[methyl(oxo)phosphaniumyl] phosphate
CID 23405619
hydroxy-methoxy-oxophosphanium;3-methoxy-2,3-dimethylbutan-2-ol
CID 175329142
[ethyl(methoxy)phosphoryl]oxy-hydroxy-oxophosphanium
CID 168867703
[[(E)-4-bromobut-2-enyl]-methylphosphoryl]oxy-methyl-oxophosphanium
CID 158955476
hydroperoxy-methyl-oxophosphanium
CID 18335943
2,2-dimethoxypropane;methane
CID 162063722
bis(dimethoxyphosphorylmethoxy)-oxophosphanium
CID 130206118
2,2-dimethoxypropane;ethane-1,2-diol;hydron;propan-2-one
CID 159261197
1,1-dimethoxypropyl-methoxy-oxophosphanium
CID 87455518
(E)-4-(2-methoxypropan-2-ylperoxy)-4-methylpent-2-en-1-ol
CID 10845862
[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
CID 91654231

Frequently Asked Questions

What is the IUPAC name of [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium?
The IUPAC name of [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium (CID 167601012) is [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium.
What is the SMILES notation for [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium?
The canonical SMILES for [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium is COC(C)(C)OP(=O)(CP(=O)(O[P+](C)=O)O[P+](C)=O)O[P+](C)=O.
What is the InChIKey of [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium?
The InChIKey is VZYOLOGCRAAGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O10P5/c1-8(2,14-3)15-22(12,16-19(4)9)7-23(13,17-20(5)10)18-21(6)11/h7H2,1-6H3/q+3.
What are the key properties of [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium?
[bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium has a molecular weight of 431.11 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium is sourced from PubChem (CID 167601012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).