1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone

C8H14O5 — CID 163003567

IUPAC1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone
SMILESC[C@H]1O[C@H](O)CC[C@]1(O)C(=O)CO
InChIInChI=1S/C8H14O5/c1-5-8(12,6(10)4-9)3-2-7(11)13-5/h5,7,9,11-12H,2-4H2,1H3/t5-,7+,8-/m1/s1
InChIKeyRABYLBGHKVCGLZ-MHSYXAOVSA-N
MW190.19 g/mol
LogP-1.20
Rot. Bonds2

About 1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone

1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone (PubChem CID 163003567) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone
PubChem CID163003567
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone
SMILESC[C@H]1O[C@H](O)CC[C@]1(O)C(=O)CO
InChIInChI=1S/C8H14O5/c1-5-8(12,6(10)4-9)3-2-7(11)13-5/h5,7,9,11-12H,2-4H2,1H3/t5-,7+,8-/m1/s1
InChIKeyRABYLBGHKVCGLZ-MHSYXAOVSA-N
XLogP-1.20
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone (CID 163003567) is 1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone is C[C@H]1O[C@H](O)CC[C@]1(O)C(=O)CO.
What is the InChIKey of 1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone?
The InChIKey is RABYLBGHKVCGLZ-MHSYXAOVSA-N. The full InChI is InChI=1S/C8H14O5/c1-5-8(12,6(10)4-9)3-2-7(11)13-5/h5,7,9,11-12H,2-4H2,1H3/t5-,7+,8-/m1/s1.
What are the key properties of 1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone?
1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone has a molecular weight of 190.19 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,6S)-3,6-dihydroxy-2-methyloxan-3-yl]-2-hydroxyethanone is sourced from PubChem (CID 163003567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).