hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol

C19H26O9P2+2 — CID 87204028

IUPAChydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol
SMILESO=[P+](O)O[P+](=O)O.OCC(CO)(CO)C(Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H24O4.O5P2/c20-13-19(14-21,15-22)18(11-16-7-3-1-4-8-16)23-12-17-9-5-2-6-10-17;1-6(2)5-7(3)4/h1-10,18,20-22H,11-15H2;/p+2
InChIKeyQJZKAPTYRMAEEB-UHFFFAOYSA-P
MW460.36 g/mol
LogP2.08
Rot. Bonds11

About hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol

hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol (PubChem CID 87204028) has the molecular formula C19H26O9P2+2 and a molecular weight of 460.36 g/mol. Its IUPAC name is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol.

Molecular Properties

Compound Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol
PubChem CID87204028
Molecular FormulaC19H26O9P2+2
Molecular Weight460.36 g/mol
Exact Mass460.10
IUPAC Namehydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol
SMILESO=[P+](O)O[P+](=O)O.OCC(CO)(CO)C(Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H24O4.O5P2/c20-13-19(14-21,15-22)18(11-16-7-3-1-4-8-16)23-12-17-9-5-2-6-10-17;1-6(2)5-7(3)4/h1-10,18,20-22H,11-15H2;/p+2
InChIKeyQJZKAPTYRMAEEB-UHFFFAOYSA-P
XLogP2.08
TPSA153.75 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 52.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-2,2-bis(hydroxymethyl)-4-phenylbutane-1,3-diol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 159010463
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride
CID 70071894
1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
CID 151391700
5,5,5-trichloro-4-phenylmethoxypentan-2-one
CID 23726238
(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 122390059
hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium
CID 67592764
(2S)-1-phenyl-2-phenylmethoxypentan-3-one
CID 11807696
(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
CID 6393557
(2S,3S)-2-benzyl-3-hydroxy-4-phenylmethoxybutanoic acid
CID 10566133
methyl-oxo-phenylmethoxyphosphanium
CID 20566646
dihydroxy(oxo)phosphanium;oxo-bis(phenylmethoxy)phosphanium
CID 159366011

Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol?
The IUPAC name of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol (CID 87204028) is hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol.
What is the SMILES notation for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol?
The canonical SMILES for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol is O=[P+](O)O[P+](=O)O.OCC(CO)(CO)C(Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol?
The InChIKey is QJZKAPTYRMAEEB-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H24O4.O5P2/c20-13-19(14-21,15-22)18(11-16-7-3-1-4-8-16)23-12-17-9-5-2-6-10-17;1-6(2)5-7(3)4/h1-10,18,20-22H,11-15H2;/p+2.
What are the key properties of hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol?
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol has a molecular weight of 460.36 g/mol, XLogP of 2.08, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;2-(hydroxymethyl)-2-(2-phenyl-1-phenylmethoxyethyl)propane-1,3-diol is sourced from PubChem (CID 87204028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).