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

C7H12O5 — CID 67680565

IUPAC(3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol
SMILESC=C1OC(O)[C@H](OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h4-10H,1H2,2H3/t4-,5+,6-,7?/m1/s1
InChIKeyGRVWIIJCMPFKHE-JFRCYRBUSA-N
MW176.17 g/mol
LogP-1.41
Rot. Bonds1

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

(3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol (PubChem CID 67680565) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is (3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol
PubChem CID67680565
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name(3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol
SMILESC=C1OC(O)[C@H](OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h4-10H,1H2,2H3/t4-,5+,6-,7?/m1/s1
InChIKeyGRVWIIJCMPFKHE-JFRCYRBUSA-N
XLogP-1.41
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(1R,3R,4R,6S)-4,5,6-trimethoxycyclohexane-1,2,3-triol
CID 68728955
(3S,4S,5S,6R)-3-methoxy-6-methyloxane-2,4,5-triol
CID 129188331
CID 58013917
CID 58013917
(2R,3S,4S)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol
CID 131854316
(3-hydroxy-6-methoxy-2-methylideneoxan-4-yl)imino-iminoazanium
CID 6333733
3-methoxy-6-propan-2-yloxane-2,4,5-triol
CID 170198927
(2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol
CID 14564498
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
2-methylideneoxane-3,4,5-triol
CID 18534363
(1S,2S,3R,4S,5R,6S)-5-methoxy-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 130831191

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol?
The IUPAC name of (3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol (CID 67680565) is (3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol.
What is the SMILES notation for (3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol?
The canonical SMILES for (3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol is C=C1OC(O)[C@H](OC)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol?
The InChIKey is GRVWIIJCMPFKHE-JFRCYRBUSA-N. The full InChI is InChI=1S/C7H12O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h4-10H,1H2,2H3/t4-,5+,6-,7?/m1/s1.
What are the key properties of (3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol?
(3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol has a molecular weight of 176.17 g/mol, XLogP of -1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol is sourced from PubChem (CID 67680565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).