[bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol

C21H24AlO9P3 — CID 141234642

IUPAC[bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol
SMILESO=P(CO)(O[Al](OP(=O)(CO)c1ccccc1)OP(=O)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/3C7H9O3P.Al/c3*8-6-11(9,10)7-4-2-1-3-5-7;/h3*1-5,8H,6H2,(H,9,10);/q;;;+3/p-3
InChIKeySJMQCMQPAHJRHY-UHFFFAOYSA-K
MW540.32 g/mol
LogP2.68
Rot. Bonds12

About [bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol

[bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol (PubChem CID 141234642) has the molecular formula C21H24AlO9P3 and a molecular weight of 540.32 g/mol. Its IUPAC name is [bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol.

Molecular Properties

Compound Name[bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol
PubChem CID141234642
Molecular FormulaC21H24AlO9P3
Molecular Weight540.32 g/mol
Exact Mass540.04
IUPAC Name[bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol
SMILESO=P(CO)(O[Al](OP(=O)(CO)c1ccccc1)OP(=O)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/3C7H9O3P.Al/c3*8-6-11(9,10)7-4-2-1-3-5-7;/h3*1-5,8H,6H2,(H,9,10);/q;;;+3/p-3
InChIKeySJMQCMQPAHJRHY-UHFFFAOYSA-K
XLogP2.68
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.32
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[chloromethyl(methoxy)phosphoryl]benzene
CID 59938019
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
[2-bromoethyl(methoxy)phosphoryl]benzene
CID 101393723
3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol
CID 134483895
phenylphosphonic acid;terbium
CID 175289814
diphenylphosphinic acid chloride
CID 53401992
phenylphosphonic acid;phosphane
CID 157219344
CID 66766975
CID 66766975
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
methyl-[methyl(phenyl)phosphoryl]oxy-oxophosphanium
CID 174783922
2-[bis(hydroxymethyl)phosphoryl]-1-phenylethanone
CID 71357134

Frequently Asked Questions

What is the IUPAC name of [bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol?
The IUPAC name of [bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol (CID 141234642) is [bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol.
What is the SMILES notation for [bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol?
The canonical SMILES for [bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol is O=P(CO)(O[Al](OP(=O)(CO)c1ccccc1)OP(=O)(CO)c1ccccc1)c1ccccc1.
What is the InChIKey of [bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol?
The InChIKey is SJMQCMQPAHJRHY-UHFFFAOYSA-K. The full InChI is InChI=1S/3C7H9O3P.Al/c3*8-6-11(9,10)7-4-2-1-3-5-7;/h3*1-5,8H,6H2,(H,9,10);/q;;;+3/p-3.
What are the key properties of [bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol?
[bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol has a molecular weight of 540.32 g/mol, XLogP of 2.68, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[[hydroxymethyl(phenyl)phosphoryl]oxy]alumanyloxy-phenylphosphoryl]methanol is sourced from PubChem (CID 141234642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).