dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate

C20H27O7P — CID 10669267

IUPACdibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate
SMILESCC[C@@H](O)[C@H](O)[C@H](O)COP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H27O7P/c1-2-18(21)20(23)19(22)15-27-28(24,25-13-16-9-5-3-6-10-16)26-14-17-11-7-4-8-12-17/h3-12,18-23H,2,13-15H2,1H3/t18-,19-,20+/m1/s1
InChIKeyCFDSLYWUAHYUHY-AQNXPRMDSA-N
MW410.40 g/mol
LogP3.04
Rot. Bonds12

About dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate

dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate (PubChem CID 10669267) has the molecular formula C20H27O7P and a molecular weight of 410.40 g/mol. Its IUPAC name is dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate.

Molecular Properties

Compound Namedibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate
PubChem CID10669267
Molecular FormulaC20H27O7P
Molecular Weight410.40 g/mol
Exact Mass410.15
IUPAC Namedibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate
SMILESCC[C@@H](O)[C@H](O)[C@H](O)COP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H27O7P/c1-2-18(21)20(23)19(22)15-27-28(24,25-13-16-9-5-3-6-10-16)26-14-17-11-7-4-8-12-17/h3-12,18-23H,2,13-15H2,1H3/t18-,19-,20+/m1/s1
InChIKeyCFDSLYWUAHYUHY-AQNXPRMDSA-N
XLogP3.04
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzyl bis(2,3-dihydroxypropyl) phosphate
CID 71386404
dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate
CID 11487549
dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate
CID 88543969
diethyl [(2S,3R,4R,5R)-2,5,6-trihydroxy-3,4-bis(phenylmethoxy)hexyl] phosphate
CID 70348497
1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
CID 91289517
dibenzyl chloromethyl phosphate;ethane
CID 144742868
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
dibenzyl [hydroxy(phenylmethoxy)methyl] phosphate
CID 167070961
benzyl ethyl methyl phosphate
CID 152677778
dibenzyl [2-methyl-4-[(2,2,2-trifluoroacetyl)amino]pentyl] phosphate
CID 147027124
dibenzyl 3-hydroxypropyl phosphate
CID 86064803
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667

Frequently Asked Questions

What is the IUPAC name of dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate?
The IUPAC name of dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate (CID 10669267) is dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate.
What is the SMILES notation for dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate?
The canonical SMILES for dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate is CC[C@@H](O)[C@H](O)[C@H](O)COP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate?
The InChIKey is CFDSLYWUAHYUHY-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H27O7P/c1-2-18(21)20(23)19(22)15-27-28(24,25-13-16-9-5-3-6-10-16)26-14-17-11-7-4-8-12-17/h3-12,18-23H,2,13-15H2,1H3/t18-,19-,20+/m1/s1.
What are the key properties of dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate?
dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate has a molecular weight of 410.40 g/mol, XLogP of 3.04, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate is sourced from PubChem (CID 10669267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).