[(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate

C17H24O10 — CID 101274323

IUPAC[(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate
SMILESCC(=O)C[C@H]1C(OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H24O10/c1-8(18)6-13-15(24-10(3)20)16(25-11(4)21)14(7-23-9(2)19)27-17(13)26-12(5)22/h13-17H,6-7H2,1-5H3/t13-,14-,15-,16+,17?/m1/s1
InChIKeyNMZLGPUYAKMRBV-DNLWUEFJSA-N
MW388.37 g/mol
LogP0.30
Rot. Bonds7

About [(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate

[(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate (PubChem CID 101274323) has the molecular formula C17H24O10 and a molecular weight of 388.37 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate
PubChem CID101274323
Molecular FormulaC17H24O10
Molecular Weight388.37 g/mol
Exact Mass388.14
IUPAC Name[(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate
SMILESCC(=O)C[C@H]1C(OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H24O10/c1-8(18)6-13-15(24-10(3)20)16(25-11(4)21)14(7-23-9(2)19)27-17(13)26-12(5)22/h13-17H,6-7H2,1-5H3/t13-,14-,15-,16+,17?/m1/s1
InChIKeyNMZLGPUYAKMRBV-DNLWUEFJSA-N
XLogP0.30
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R,4R,5R,6S)-3,4,6-triacetyloxy-5-(2-methylprop-2-enyl)oxan-2-yl]methyl acetate
CID 53362290
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-(iodomethyl)oxan-2-yl]methyl acetate
CID 102322170
[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529
[(3R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 66625316
[(3S,4R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 59256922
[(3R,4R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 121321079
[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 53487899
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 2724702
methyl 2-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]acetate
CID 101458194
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[3,5-diacetyloxy-4-(2-oxopropyl)-6-sulfanyloxan-2-yl]methyl acetate
CID 142484185

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate (CID 101274323) is [(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate is CC(=O)C[C@H]1C(OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate?
The InChIKey is NMZLGPUYAKMRBV-DNLWUEFJSA-N. The full InChI is InChI=1S/C17H24O10/c1-8(18)6-13-15(24-10(3)20)16(25-11(4)21)14(7-23-9(2)19)27-17(13)26-12(5)22/h13-17H,6-7H2,1-5H3/t13-,14-,15-,16+,17?/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate?
[(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate has a molecular weight of 388.37 g/mol, XLogP of 0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4,6-triacetyloxy-5-(2-oxopropyl)oxan-2-yl]methyl acetate is sourced from PubChem (CID 101274323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).