[(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate

C13H23O8P — CID 144807345

IUPAC[(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate
SMILESCCOP(COC1C[C@H](OC(C)=O)C(OC(C)=O)O1)OCC
InChIInChI=1S/C13H23O8P/c1-5-17-22(18-6-2)8-16-12-7-11(19-9(3)14)13(21-12)20-10(4)15/h11-13H,5-8H2,1-4H3/t11-,12?,13?/m0/s1
InChIKeyOXXPQIAKPVJBEX-HIFPTAJRSA-N
MW338.29 g/mol
LogP1.91
Rot. Bonds9

About [(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate

[(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate (PubChem CID 144807345) has the molecular formula C13H23O8P and a molecular weight of 338.29 g/mol. Its IUPAC name is [(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate
PubChem CID144807345
Molecular FormulaC13H23O8P
Molecular Weight338.29 g/mol
Exact Mass338.11
IUPAC Name[(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate
SMILESCCOP(COC1C[C@H](OC(C)=O)C(OC(C)=O)O1)OCC
InChIInChI=1S/C13H23O8P/c1-5-17-22(18-6-2)8-16-12-7-11(19-9(3)14)13(21-12)20-10(4)15/h11-13H,5-8H2,1-4H3/t11-,12?,13?/m0/s1
InChIKeyOXXPQIAKPVJBEX-HIFPTAJRSA-N
XLogP1.91
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(3S,5R)-2-acetyloxy-5-[[ethoxy(methyl)phosphoryl]methoxy]oxolan-3-yl] benzoate
CID 58521276
[(2S,5S)-4,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 144683652
[(2S,3R,4R,6R)-6-acetyl-2-acetyloxy-3-bromooxan-4-yl] acetate
CID 100920804
[(2S,3S,4S,6R)-3-acetyloxy-6-dodecoxy-2-methyloxan-4-yl] acetate
CID 102214811
[(3R,5R)-2-acetyloxy-5-(azidomethyl)oxolan-3-yl] acetate
CID 91093557
[(2S,3R,4S,6R)-3,6-diacetyloxy-2-(chloromethyl)oxan-4-yl] acetate
CID 118225451
(2S,4S,5R,6R)-4,5,6-triacetyloxyoxane-2-carboxylic acid
CID 166737306
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(2S,3R,4S)-3-acetyloxy-6-bromo-2-methyloxan-4-yl] acetate
CID 10891746
(5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate
CID 538720
[(2R,3R,4R,6S)-3,4-diacetyloxy-6-octoxyoxan-2-yl]methyl acetate
CID 100922214

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate?
The IUPAC name of [(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate (CID 144807345) is [(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate.
What is the SMILES notation for [(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate?
The canonical SMILES for [(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate is CCOP(COC1C[C@H](OC(C)=O)C(OC(C)=O)O1)OCC.
What is the InChIKey of [(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate?
The InChIKey is OXXPQIAKPVJBEX-HIFPTAJRSA-N. The full InChI is InChI=1S/C13H23O8P/c1-5-17-22(18-6-2)8-16-12-7-11(19-9(3)14)13(21-12)20-10(4)15/h11-13H,5-8H2,1-4H3/t11-,12?,13?/m0/s1.
What are the key properties of [(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate?
[(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate has a molecular weight of 338.29 g/mol, XLogP of 1.91, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-acetyloxy-5-(diethoxyphosphanylmethoxy)oxolan-3-yl] acetate is sourced from PubChem (CID 144807345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).