(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol

C8H16O5 — CID 130928120

IUPAC(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
SMILESCO[C@@H]1[C@@H](OC)[C@H](O)[C@@H](C)O[C@@H]1O
InChIInChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7-,8+/m1/s1
InChIKeySXWBIRCAXZNEGK-CBQIKETKSA-N
MW192.21 g/mol
LogP-0.89
Rot. Bonds2

About (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol

(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol (PubChem CID 130928120) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
PubChem CID130928120
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol
SMILESCO[C@@H]1[C@@H](OC)[C@H](O)[C@@H](C)O[C@@H]1O
InChIInChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7-,8+/m1/s1
InChIKeySXWBIRCAXZNEGK-CBQIKETKSA-N
XLogP-0.89
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol?
The IUPAC name of (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol (CID 130928120) is (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol?
The canonical SMILES for (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol is CO[C@@H]1[C@@H](OC)[C@H](O)[C@@H](C)O[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol?
The InChIKey is SXWBIRCAXZNEGK-CBQIKETKSA-N. The full InChI is InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7-,8+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol?
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol has a molecular weight of 192.21 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-3,4-dimethoxy-6-methyloxane-2,5-diol is sourced from PubChem (CID 130928120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).