[2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol

C18H33O6P3 — CID 101128187

IUPAC[2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol
SMILESOCP(CO)CCc1cc(CCP(CO)CO)cc(CCP(CO)CO)c1
InChIInChI=1S/C18H33O6P3/c19-10-25(11-20)4-1-16-7-17(2-5-26(12-21)13-22)9-18(8-16)3-6-27(14-23)15-24/h7-9,19-24H,1-6,10-15H2
InChIKeyFUYMSSYMLSBDMF-UHFFFAOYSA-N
MW438.38 g/mol
LogP1.46
Rot. Bonds15

About [2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol

[2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol (PubChem CID 101128187) has the molecular formula C18H33O6P3 and a molecular weight of 438.38 g/mol. Its IUPAC name is [2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol.

Molecular Properties

Compound Name[2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol
PubChem CID101128187
Molecular FormulaC18H33O6P3
Molecular Weight438.38 g/mol
Exact Mass438.15
IUPAC Name[2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol
SMILESOCP(CO)CCc1cc(CCP(CO)CO)cc(CCP(CO)CO)c1
InChIInChI=1S/C18H33O6P3/c19-10-25(11-20)4-1-16-7-17(2-5-26(12-21)13-22)9-18(8-16)3-6-27(14-23)15-24/h7-9,19-24H,1-6,10-15H2
InChIKeyFUYMSSYMLSBDMF-UHFFFAOYSA-N
XLogP1.46
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.38
LogP ≤ 51.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol?
The IUPAC name of [2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol (CID 101128187) is [2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol.
What is the SMILES notation for [2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol?
The canonical SMILES for [2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol is OCP(CO)CCc1cc(CCP(CO)CO)cc(CCP(CO)CO)c1.
What is the InChIKey of [2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol?
The InChIKey is FUYMSSYMLSBDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33O6P3/c19-10-25(11-20)4-1-16-7-17(2-5-26(12-21)13-22)9-18(8-16)3-6-27(14-23)15-24/h7-9,19-24H,1-6,10-15H2.
What are the key properties of [2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol?
[2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol has a molecular weight of 438.38 g/mol, XLogP of 1.46, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3,5-bis[2-[bis(hydroxymethyl)phosphanyl]ethyl]phenyl]ethyl-(hydroxymethyl)phosphanyl]methanol is sourced from PubChem (CID 101128187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).