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

C21H39O6P3 — CID 101128188

IUPAC[3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol
SMILESOCP(CO)CCCc1cc(CCCP(CO)CO)cc(CCCP(CO)CO)c1
InChIInChI=1S/C21H39O6P3/c22-13-28(14-23)7-1-4-19-10-20(5-2-8-29(15-24)16-25)12-21(11-19)6-3-9-30(17-26)18-27/h10-12,22-27H,1-9,13-18H2
InChIKeyILOMNFXXCNXPGI-UHFFFAOYSA-N
MW480.46 g/mol
LogP2.63
Rot. Bonds18

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

[3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol (PubChem CID 101128188) has the molecular formula C21H39O6P3 and a molecular weight of 480.46 g/mol. Its IUPAC name is [3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol.

Molecular Properties

Compound Name[3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol
PubChem CID101128188
Molecular FormulaC21H39O6P3
Molecular Weight480.46 g/mol
Exact Mass480.20
IUPAC Name[3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol
SMILESOCP(CO)CCCc1cc(CCCP(CO)CO)cc(CCCP(CO)CO)c1
InChIInChI=1S/C21H39O6P3/c22-13-28(14-23)7-1-4-19-10-20(5-2-8-29(15-24)16-25)12-21(11-19)6-3-9-30(17-26)18-27/h10-12,22-27H,1-9,13-18H2
InChIKeyILOMNFXXCNXPGI-UHFFFAOYSA-N
XLogP2.63
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.46
LogP ≤ 52.63
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 [3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol?
The IUPAC name of [3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol (CID 101128188) is [3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol.
What is the SMILES notation for [3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol?
The canonical SMILES for [3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol is OCP(CO)CCCc1cc(CCCP(CO)CO)cc(CCCP(CO)CO)c1.
What is the InChIKey of [3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol?
The InChIKey is ILOMNFXXCNXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39O6P3/c22-13-28(14-23)7-1-4-19-10-20(5-2-8-29(15-24)16-25)12-21(11-19)6-3-9-30(17-26)18-27/h10-12,22-27H,1-9,13-18H2.
What are the key properties of [3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol?
[3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol has a molecular weight of 480.46 g/mol, XLogP of 2.63, 18 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3,5-bis[3-[bis(hydroxymethyl)phosphanyl]propyl]phenyl]propyl-(hydroxymethyl)phosphanyl]methanol is sourced from PubChem (CID 101128188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).