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

C7H14O5 — CID 12904923

IUPAC(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5-,6-,7+/m1/s1
InChIKeyOHWCAVRRXKJCRB-GKHCUFPYSA-N
MW178.18 g/mol
LogP-1.54
Rot. Bonds1

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

(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol (PubChem CID 12904923) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
PubChem CID12904923
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5-,6-,7+/m1/s1
InChIKeyOHWCAVRRXKJCRB-GKHCUFPYSA-N
XLogP-1.54
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6S)-5-hydroxy-2-methoxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 139084048
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol
CID 57272442
(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol
CID 130765052
(2R,3S,4R,5S,6S)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 14237331
(2R,3S,5R)-2-[(3S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 58019724
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-[(2R,3S,4S,5R,6S)-4-hydroxy-6-methoxy-2-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 163115163
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 101072516
2-methoxy-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 14212572

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol (CID 12904923) is (2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol is CO[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol?
The InChIKey is OHWCAVRRXKJCRB-GKHCUFPYSA-N. The full InChI is InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5-,6-,7+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol has a molecular weight of 178.18 g/mol, XLogP of -1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 12904923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).