[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate

C12H20O7 — CID 67276829

IUPAC[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
SMILESCO[C@H]1[C@H](OC)[C@@H](COC(C)=O)O[C@@H]1COC(C)=O
InChIInChI=1S/C12H20O7/c1-7(13)17-5-9-11(15-3)12(16-4)10(19-9)6-18-8(2)14/h9-12H,5-6H2,1-4H3/t9-,10-,11-,12-/m1/s1
InChIKeyUDQAGOWNLGIFAK-DDHJBXDOSA-N
MW276.29 g/mol
LogP-0.09
Rot. Bonds6

About [(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate

[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate (PubChem CID 67276829) has the molecular formula C12H20O7 and a molecular weight of 276.29 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
PubChem CID67276829
Molecular FormulaC12H20O7
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC Name[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
SMILESCO[C@H]1[C@H](OC)[C@@H](COC(C)=O)O[C@@H]1COC(C)=O
InChIInChI=1S/C12H20O7/c1-7(13)17-5-9-11(15-3)12(16-4)10(19-9)6-18-8(2)14/h9-12H,5-6H2,1-4H3/t9-,10-,11-,12-/m1/s1
InChIKeyUDQAGOWNLGIFAK-DDHJBXDOSA-N
XLogP-0.09
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S,4S,6S)-5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl]methyl acetate
CID 58919166
[(3R,6R)-6-acetyloxy-3,4,5-trimethoxyoxan-2-yl]methyl acetate
CID 6427397
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(2R,3R,4S,5S,6S)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]methyl acetate
CID 22214452
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(2R,3S,4R,5S,6R)-3,4,5-trimethoxy-6-prop-1-ynyloxan-2-yl]methyl acetate
CID 102428602
[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
[(3R,6S)-3,6-diacetyloxy-5-methoxy-4-methyloxan-2-yl]methyl acetate
CID 155462846
[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 71771975
[(3R,4S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 70864054
[(3R,4S,5R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050229
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 2795017

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate (CID 67276829) is [(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate is CO[C@H]1[C@H](OC)[C@@H](COC(C)=O)O[C@@H]1COC(C)=O.
What is the InChIKey of [(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate?
The InChIKey is UDQAGOWNLGIFAK-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H20O7/c1-7(13)17-5-9-11(15-3)12(16-4)10(19-9)6-18-8(2)14/h9-12H,5-6H2,1-4H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate?
[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate has a molecular weight of 276.29 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 67276829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).