(2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol

C7H12O5 — CID 70004438

IUPAC(2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol
SMILESC=C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O5/c1-3-5(9)7(11)6(10)4(2-8)12-3/h4-11H,1-2H2/t4-,5+,6+,7-/m1/s1
InChIKeyGUNAWUQZIVSTCQ-JRTVQGFMSA-N
MW176.17 g/mol
LogP-2.03
Rot. Bonds1

About (2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol

(2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol (PubChem CID 70004438) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol
PubChem CID70004438
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name(2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol
SMILESC=C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O5/c1-3-5(9)7(11)6(10)4(2-8)12-3/h4-11H,1-2H2/t4-,5+,6+,7-/m1/s1
InChIKeyGUNAWUQZIVSTCQ-JRTVQGFMSA-N
XLogP-2.03
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol (CID 70004438) is (2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol is C=C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol?
The InChIKey is GUNAWUQZIVSTCQ-JRTVQGFMSA-N. The full InChI is InChI=1S/C7H12O5/c1-3-5(9)7(11)6(10)4(2-8)12-3/h4-11H,1-2H2/t4-,5+,6+,7-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol?
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol has a molecular weight of 176.17 g/mol, XLogP of -2.03, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(hydroxymethyl)-6-methylideneoxane-3,4,5-triol is sourced from PubChem (CID 70004438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).