[(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate

C10H16O6 — CID 10014199

IUPAC[(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate
SMILES[2H][C@H]1[C@H](OC)OC[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C10H16O6/c1-6(11)15-8-4-10(13-3)14-5-9(8)16-7(2)12/h8-10H,4-5H2,1-3H3/t8-,9-,10+/m0/s1/i4D/t4-,8+,9+,10-/m1
InChIKeyWJGQMDQPPAAHJN-VXDISMDTSA-N
MW233.24 g/mol
LogP0.24
Rot. Bonds3

About [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate

[(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate (PubChem CID 10014199) has the molecular formula C10H16O6 and a molecular weight of 233.24 g/mol. Its IUPAC name is [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate
PubChem CID10014199
Molecular FormulaC10H16O6
Molecular Weight233.24 g/mol
Exact Mass233.10
IUPAC Name[(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate
SMILES[2H][C@H]1[C@H](OC)OC[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C10H16O6/c1-6(11)15-8-4-10(13-3)14-5-9(8)16-7(2)12/h8-10H,4-5H2,1-3H3/t8-,9-,10+/m0/s1/i4D/t4-,8+,9+,10-/m1
InChIKeyWJGQMDQPPAAHJN-VXDISMDTSA-N
XLogP0.24
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate with MolForge

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Related Compounds

[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
CID 12907258
[(2R,3R,4R,5R,6S)-3,4-diacetyloxy-5-deuterio-6-methoxyoxan-2-yl]methyl acetate
CID 25240654
[(2R,3R,4S,5R)-2-acetyloxy-4,5-dimethoxyoxan-3-yl] acetate
CID 139499665
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate
CID 100966636
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030
(4,5-dihydroxy-3-methoxyoxan-2-yl) acetate
CID 146954175
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(3R,4S,5R,6S)-4,5,6-triacetyloxyoxan-3-yl]oxyoxan-3-yl] acetate
CID 10951584
methyl (2R,3S,4S,5R)-3,4,5-triacetyloxyoxane-2-carboxylate
CID 100924415
[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate
CID 101103796
[(3R,4R,5R,6S)-4,5-diacetyloxy-6-hydroxyoxan-3-yl] acetate
CID 11346418
[(4S,5R,6S)-4,5-diacetyloxy-6-methyloxan-3-yl] acetate
CID 163908102

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate?
The IUPAC name of [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate (CID 10014199) is [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate.
What is the SMILES notation for [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate?
The canonical SMILES for [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate is [2H][C@H]1[C@H](OC)OC[C@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate?
The InChIKey is WJGQMDQPPAAHJN-VXDISMDTSA-N. The full InChI is InChI=1S/C10H16O6/c1-6(11)15-8-4-10(13-3)14-5-9(8)16-7(2)12/h8-10H,4-5H2,1-3H3/t8-,9-,10+/m0/s1/i4D/t4-,8+,9+,10-/m1.
What are the key properties of [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate?
[(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate has a molecular weight of 233.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5R,6R)-4-acetyloxy-5-deuterio-6-methoxyoxan-3-yl] acetate is sourced from PubChem (CID 10014199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).