(1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one

C7H10O6 — CID 70005179

IUPAC(1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESO=C1[C@H](O)[C@H](O)[C@H]2COC1(CO)O2
InChIInChI=1S/C7H10O6/c8-2-7-6(11)5(10)4(9)3(13-7)1-12-7/h3-5,8-10H,1-2H2/t3-,4-,5-,7?/m1/s1
InChIKeyGMOGBJKWTHJFJK-YTPWUJHKSA-N
MW190.15 g/mol
LogP-2.61
Rot. Bonds1

About (1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one

(1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one (PubChem CID 70005179) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is (1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one.

Molecular Properties

Compound Name(1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one
PubChem CID70005179
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name(1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESO=C1[C@H](O)[C@H](O)[C@H]2COC1(CO)O2
InChIInChI=1S/C7H10O6/c8-2-7-6(11)5(10)4(9)3(13-7)1-12-7/h3-5,8-10H,1-2H2/t3-,4-,5-,7?/m1/s1
InChIKeyGMOGBJKWTHJFJK-YTPWUJHKSA-N
XLogP-2.61
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-2.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one?
The IUPAC name of (1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one (CID 70005179) is (1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one.
What is the SMILES notation for (1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one?
The canonical SMILES for (1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one is O=C1[C@H](O)[C@H](O)[C@H]2COC1(CO)O2.
What is the InChIKey of (1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one?
The InChIKey is GMOGBJKWTHJFJK-YTPWUJHKSA-N. The full InChI is InChI=1S/C7H10O6/c8-2-7-6(11)5(10)4(9)3(13-7)1-12-7/h3-5,8-10H,1-2H2/t3-,4-,5-,7?/m1/s1.
What are the key properties of (1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one?
(1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one has a molecular weight of 190.15 g/mol, XLogP of -2.61, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-2,3-dihydroxy-5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-one is sourced from PubChem (CID 70005179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).