dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate

C32H33O7P — CID 10792974

IUPACdibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate
SMILESO=C[C@@H](OCc1ccccc1)[C@@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H33O7P/c33-21-31(35-22-27-13-5-1-6-14-27)32(36-23-28-15-7-2-8-16-28)26-39-40(34,37-24-29-17-9-3-10-18-29)38-25-30-19-11-4-12-20-30/h1-21,31-32H,22-26H2/t31-,32-/m1/s1
InChIKeyUEFDNBLJDPAIHG-ROJLCIKYSA-N
MW560.58 g/mol
LogP6.91
Rot. Bonds17

About dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate

dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate (PubChem CID 10792974) has the molecular formula C32H33O7P and a molecular weight of 560.58 g/mol. Its IUPAC name is dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate.

Molecular Properties

Compound Namedibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate
PubChem CID10792974
Molecular FormulaC32H33O7P
Molecular Weight560.58 g/mol
Exact Mass560.20
IUPAC Namedibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate
SMILESO=C[C@@H](OCc1ccccc1)[C@@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H33O7P/c33-21-31(35-22-27-13-5-1-6-14-27)32(36-23-28-15-7-2-8-16-28)26-39-40(34,37-24-29-17-9-3-10-18-29)38-25-30-19-11-4-12-20-30/h1-21,31-32H,22-26H2/t31-,32-/m1/s1
InChIKeyUEFDNBLJDPAIHG-ROJLCIKYSA-N
XLogP6.91
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.58
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl [(2R,3S)-5,5,5-trifluoro-4,4-dihydroxy-2,3-bis(phenylmethoxy)pentyl] phosphate
CID 102151601
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
benzyl bis(2,3-dihydroxypropyl) phosphate
CID 71386404
dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate
CID 88543969
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate
CID 11487549
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051
dibenzyl [hydroxy(phenylmethoxy)methyl] phosphate
CID 167070961

Frequently Asked Questions

What is the IUPAC name of dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate?
The IUPAC name of dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate (CID 10792974) is dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate.
What is the SMILES notation for dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate?
The canonical SMILES for dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate is O=C[C@@H](OCc1ccccc1)[C@@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate?
The InChIKey is UEFDNBLJDPAIHG-ROJLCIKYSA-N. The full InChI is InChI=1S/C32H33O7P/c33-21-31(35-22-27-13-5-1-6-14-27)32(36-23-28-15-7-2-8-16-28)26-39-40(34,37-24-29-17-9-3-10-18-29)38-25-30-19-11-4-12-20-30/h1-21,31-32H,22-26H2/t31-,32-/m1/s1.
What are the key properties of dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate?
dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate has a molecular weight of 560.58 g/mol, XLogP of 6.91, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate is sourced from PubChem (CID 10792974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).