(3S)-2-methylideneoxane-3,4,5-triol

C6H10O4 — CID 89113016

IUPAC(3S)-2-methylideneoxane-3,4,5-triol
SMILESC=C1OCC(O)C(O)[C@@H]1O
InChIInChI=1S/C6H10O4/c1-3-5(8)6(9)4(7)2-10-3/h4-9H,1-2H2/t4?,5-,6?/m1/s1
InChIKeyLMVLBMPRWRCURB-INWUZDNDSA-N
MW146.14 g/mol
LogP-1.39
Rot. Bonds

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

(3S)-2-methylideneoxane-3,4,5-triol (PubChem CID 89113016) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (3S)-2-methylideneoxane-3,4,5-triol.

Molecular Properties

Compound Name(3S)-2-methylideneoxane-3,4,5-triol
PubChem CID89113016
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(3S)-2-methylideneoxane-3,4,5-triol
SMILESC=C1OCC(O)C(O)[C@@H]1O
InChIInChI=1S/C6H10O4/c1-3-5(8)6(9)4(7)2-10-3/h4-9H,1-2H2/t4?,5-,6?/m1/s1
InChIKeyLMVLBMPRWRCURB-INWUZDNDSA-N
XLogP-1.39
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methylideneoxane-3,4,5-triol?
The IUPAC name of (3S)-2-methylideneoxane-3,4,5-triol (CID 89113016) is (3S)-2-methylideneoxane-3,4,5-triol.
What is the SMILES notation for (3S)-2-methylideneoxane-3,4,5-triol?
The canonical SMILES for (3S)-2-methylideneoxane-3,4,5-triol is C=C1OCC(O)C(O)[C@@H]1O.
What is the InChIKey of (3S)-2-methylideneoxane-3,4,5-triol?
The InChIKey is LMVLBMPRWRCURB-INWUZDNDSA-N. The full InChI is InChI=1S/C6H10O4/c1-3-5(8)6(9)4(7)2-10-3/h4-9H,1-2H2/t4?,5-,6?/m1/s1.
What are the key properties of (3S)-2-methylideneoxane-3,4,5-triol?
(3S)-2-methylideneoxane-3,4,5-triol has a molecular weight of 146.14 g/mol, XLogP of -1.39, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methylideneoxane-3,4,5-triol is sourced from PubChem (CID 89113016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).