[hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate

C3H12O13P4 — CID 21317018

IUPAC[hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate
SMILESCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(OC)OC
InChIInChI=1S/C3H12O13P4/c1-11-17(4,5)14-18(6,7)15-19(8,9)16-20(10,12-2)13-3/h1-3H3,(H,4,5)(H,6,7)(H,8,9)
InChIKeyLZCLPTMZBBVINY-UHFFFAOYSA-N
MW380.01 g/mol
LogP1.38
Rot. Bonds9

About [hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate

[hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate (PubChem CID 21317018) has the molecular formula C3H12O13P4 and a molecular weight of 380.01 g/mol. Its IUPAC name is [hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate.

Molecular Properties

Compound Name[hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate
PubChem CID21317018
Molecular FormulaC3H12O13P4
Molecular Weight380.01 g/mol
Exact Mass379.92
IUPAC Name[hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate
SMILESCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(OC)OC
InChIInChI=1S/C3H12O13P4/c1-11-17(4,5)14-18(6,7)15-19(8,9)16-20(10,12-2)13-3/h1-3H3,(H,4,5)(H,6,7)(H,8,9)
InChIKeyLZCLPTMZBBVINY-UHFFFAOYSA-N
XLogP1.38
TPSA184.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.01
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate?
The IUPAC name of [hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate (CID 21317018) is [hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate.
What is the SMILES notation for [hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate?
The canonical SMILES for [hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate is COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(OC)OC.
What is the InChIKey of [hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate?
The InChIKey is LZCLPTMZBBVINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12O13P4/c1-11-17(4,5)14-18(6,7)15-19(8,9)16-20(10,12-2)13-3/h1-3H3,(H,4,5)(H,6,7)(H,8,9).
What are the key properties of [hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate?
[hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate has a molecular weight of 380.01 g/mol, XLogP of 1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] dimethyl phosphate is sourced from PubChem (CID 21317018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).