benzyl bis(2,3-dihydroxypropyl) phosphate

C13H21O8P — CID 71386404

IUPACbenzyl bis(2,3-dihydroxypropyl) phosphate
SMILESO=P(OCc1ccccc1)(OCC(O)CO)OCC(O)CO
InChIInChI=1S/C13H21O8P/c14-6-12(16)9-20-22(18,21-10-13(17)7-15)19-8-11-4-2-1-3-5-11/h1-5,12-17H,6-10H2
InChIKeyNIRFVCGOTHLAAM-UHFFFAOYSA-N
MW336.28 g/mol
LogP0.05
Rot. Bonds11

About benzyl bis(2,3-dihydroxypropyl) phosphate

benzyl bis(2,3-dihydroxypropyl) phosphate (PubChem CID 71386404) has the molecular formula C13H21O8P and a molecular weight of 336.28 g/mol. Its IUPAC name is benzyl bis(2,3-dihydroxypropyl) phosphate.

Molecular Properties

Compound Namebenzyl bis(2,3-dihydroxypropyl) phosphate
PubChem CID71386404
Molecular FormulaC13H21O8P
Molecular Weight336.28 g/mol
Exact Mass336.10
IUPAC Namebenzyl bis(2,3-dihydroxypropyl) phosphate
SMILESO=P(OCc1ccccc1)(OCC(O)CO)OCC(O)CO
InChIInChI=1S/C13H21O8P/c14-6-12(16)9-20-22(18,21-10-13(17)7-15)19-8-11-4-2-1-3-5-11/h1-5,12-17H,6-10H2
InChIKeyNIRFVCGOTHLAAM-UHFFFAOYSA-N
XLogP0.05
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate
CID 11487549
dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate
CID 10669267
CID 172760983
CID 172760983
dibenzyl 3-hydroxypropyl phosphate
CID 86064803
1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
CID 91289517
dibenzyl [hydroxy(phenylmethoxy)methyl] phosphate
CID 167070961
[(2-amino-3-hydroxypropanoyl)oxy-phenylmethoxyphosphoryl] 2-amino-3-hydroxypropanoate
CID 20979545
diethyl [(2S,3R,4R,5R)-2,5,6-trihydroxy-3,4-bis(phenylmethoxy)hexyl] phosphate
CID 70348497
2,3-dihydroxypropyl 4-phenylmethoxybenzoate
CID 71423626
dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate
CID 88543969
[(2R)-2,3-dihydroxypropyl] diethyl phosphate
CID 101018748
dibenzyl chloromethyl phosphate;ethane
CID 144742868

Frequently Asked Questions

What is the IUPAC name of benzyl bis(2,3-dihydroxypropyl) phosphate?
The IUPAC name of benzyl bis(2,3-dihydroxypropyl) phosphate (CID 71386404) is benzyl bis(2,3-dihydroxypropyl) phosphate.
What is the SMILES notation for benzyl bis(2,3-dihydroxypropyl) phosphate?
The canonical SMILES for benzyl bis(2,3-dihydroxypropyl) phosphate is O=P(OCc1ccccc1)(OCC(O)CO)OCC(O)CO.
What is the InChIKey of benzyl bis(2,3-dihydroxypropyl) phosphate?
The InChIKey is NIRFVCGOTHLAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O8P/c14-6-12(16)9-20-22(18,21-10-13(17)7-15)19-8-11-4-2-1-3-5-11/h1-5,12-17H,6-10H2.
What are the key properties of benzyl bis(2,3-dihydroxypropyl) phosphate?
benzyl bis(2,3-dihydroxypropyl) phosphate has a molecular weight of 336.28 g/mol, XLogP of 0.05, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl bis(2,3-dihydroxypropyl) phosphate is sourced from PubChem (CID 71386404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).