[(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate

C22H23O6P — CID 101262269

IUPAC[(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=C[C@H](P(=O)(c2ccccc2)c2ccccc2)[C@H]1OC(C)=O
InChIInChI=1S/C22H23O6P/c1-16(23)27-15-20-22(28-17(2)24)21(13-14-26-20)29(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,20-22H,15H2,1-2H3/t20-,21+,22+/m1/s1
InChIKeySFCZQYMTOFFNIA-FSSWDIPSSA-N
MW414.39 g/mol
LogP2.78
Rot. Bonds6

About [(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 101262269) has the molecular formula C22H23O6P and a molecular weight of 414.39 g/mol. Its IUPAC name is [(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID101262269
Molecular FormulaC22H23O6P
Molecular Weight414.39 g/mol
Exact Mass414.12
IUPAC Name[(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=C[C@H](P(=O)(c2ccccc2)c2ccccc2)[C@H]1OC(C)=O
InChIInChI=1S/C22H23O6P/c1-16(23)27-15-20-22(28-17(2)24)21(13-14-26-20)29(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,20-22H,15H2,1-2H3/t20-,21+,22+/m1/s1
InChIKeySFCZQYMTOFFNIA-FSSWDIPSSA-N
XLogP2.78
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4R)-3,4-diacetyloxy-(513C)3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 118855924
[(2R,3S,4R)-3-acetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyran-4-yl] 2-methoxybenzoate
CID 23392831
[(2R,3S,4R)-4-hydroxy-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 67083599
[(2R,3S,4R)-3-acetyloxy-4-cyano-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10399332
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-phenyloxan-2-yl]methyl acetate
CID 14237836
[(2S,3R,4S,5R)-3,4-diacetyloxy-5-phenylselanyloxolan-2-yl]methyl acetate
CID 10693172
(3-acetyloxy-4,5-dihydroxy-6-phenyloxan-2-yl)methyl acetate
CID 123856643
CID 58705078
CID 58705078
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-diphenoxyphosphoryloxyoxan-2-yl]methyl acetate
CID 15720037
[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(benzylsulfonylmethyl)oxolan-2-yl]methyl acetate
CID 101378192
[(2R,3R,4R,5S)-3,4-diacetyloxy-5-(benzylsulfonylmethyl)oxolan-2-yl]methyl acetate
CID 101378190
[(2R,3R,4S,5S)-3,4-diacetyloxy-5-phenylsulfanyloxolan-2-yl]methyl acetate
CID 102482414

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate (CID 101262269) is [(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1OC=C[C@H](P(=O)(c2ccccc2)c2ccccc2)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is SFCZQYMTOFFNIA-FSSWDIPSSA-N. The full InChI is InChI=1S/C22H23O6P/c1-16(23)27-15-20-22(28-17(2)24)21(13-14-26-20)29(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,20-22H,15H2,1-2H3/t20-,21+,22+/m1/s1.
What are the key properties of [(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 414.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-3-acetyloxy-4-diphenylphosphoryl-3,4-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 101262269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).