[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate

C8H14O6 — CID 70946424

IUPAC[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C8H14O6/c1-4(9)13-3-6-8(12)5(10)2-7(11)14-6/h5-8,10-12H,2-3H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKeyRKYHWTASLGKHDB-WCTZXXKLSA-N
MW206.19 g/mol
LogP-1.62
Rot. Bonds2

About [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate

[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate (PubChem CID 70946424) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate
PubChem CID70946424
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C8H14O6/c1-4(9)13-3-6-8(12)5(10)2-7(11)14-6/h5-8,10-12H,2-3H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKeyRKYHWTASLGKHDB-WCTZXXKLSA-N
XLogP-1.62
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dihydroxy-6-propyloxan-2-yl)methyl acetate
CID 166756181
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(3S,4S,6R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903122
[(2S,3R,4S,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 124546051
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903120
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 130353302
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 21336535
[(3R,6R)-4-acetyloxy-3-hydroxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 118473583
[(6R)-4,5-diacetyloxy-3,6-dihydroxyoxan-2-yl]methyl acetate
CID 155096088
[(2R,3S,5S)-5-hydroxy-3-(trifluoromethylsulfonyloxy)oxolan-2-yl]methyl acetate
CID 88884440
[(3S,6R)-4-acetyloxy-6-bromo-3-hydroxyoxan-2-yl]methyl acetate
CID 143328250

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate (CID 70946424) is [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate?
The InChIKey is RKYHWTASLGKHDB-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H14O6/c1-4(9)13-3-6-8(12)5(10)2-7(11)14-6/h5-8,10-12H,2-3H2,1H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate?
[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate has a molecular weight of 206.19 g/mol, XLogP of -1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 70946424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).