[(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate

C10H16O8 — CID 87068434

IUPAC[(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate
SMILESCOC1(O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1O
InChIInChI=1S/C10H16O8/c1-5(11)16-4-7-8(17-6(2)12)9(13)10(14,15-3)18-7/h7-9,13-14H,4H2,1-3H3/t7-,8-,9-,10?/m1/s1
InChIKeyZCNMUTQGKDWMOZ-PBVVMKELSA-N
MW264.23 g/mol
LogP-1.47
Rot. Bonds4

About [(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate

[(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate (PubChem CID 87068434) has the molecular formula C10H16O8 and a molecular weight of 264.23 g/mol. Its IUPAC name is [(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate
PubChem CID87068434
Molecular FormulaC10H16O8
Molecular Weight264.23 g/mol
Exact Mass264.08
IUPAC Name[(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate
SMILESCOC1(O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1O
InChIInChI=1S/C10H16O8/c1-5(11)16-4-7-8(17-6(2)12)9(13)10(14,15-3)18-7/h7-9,13-14H,4H2,1-3H3/t7-,8-,9-,10?/m1/s1
InChIKeyZCNMUTQGKDWMOZ-PBVVMKELSA-N
XLogP-1.47
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-carbamoyl-6-methoxyoxan-2-yl]methyl acetate
CID 101466757
(3,4,5-triacetyloxy-6-carbamoyl-6-hydroxyoxan-2-yl)methyl acetate
CID 85395163
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-amino-6-hydroxyoxan-2-yl]methyl acetate
CID 70565465
[(2R,3R,4R,5R,6S)-6-acetyl-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 102050378
[(2R,3R,4S,5R,6R)-6-acetyl-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 69227069
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-cyano-6-methoxyoxan-2-yl]methyl acetate
CID 10042194
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-hydroxy-6-hydroxysulfanyloxan-2-yl]methyl acetate
CID 90799321
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(2R,3R,4S,5R)-3-acetyloxy-4-ethylsulfanyl-5-hydroxy-5-methyloxolan-2-yl]methyl acetate
CID 121003292
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-bromoethyl)-6-hydroxyoxan-2-yl]methyl acetate
CID 70529003
[(2R,3R,4R,5S)-3,4,5-triacetyloxy-5-methyloxolan-2-yl]methyl acetate
CID 70022202

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate (CID 87068434) is [(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate is COC1(O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1O.
What is the InChIKey of [(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate?
The InChIKey is ZCNMUTQGKDWMOZ-PBVVMKELSA-N. The full InChI is InChI=1S/C10H16O8/c1-5(11)16-4-7-8(17-6(2)12)9(13)10(14,15-3)18-7/h7-9,13-14H,4H2,1-3H3/t7-,8-,9-,10?/m1/s1.
What are the key properties of [(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate?
[(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate has a molecular weight of 264.23 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3-acetyloxy-4,5-dihydroxy-5-methoxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 87068434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).