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

C7H14O5S — CID 71056568

IUPAC(2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol
SMILESCO[C@H]1O[C@@H](SC)C(O)[C@@H](O)C1O
InChIInChI=1S/C7H14O5S/c1-11-6-4(9)3(8)5(10)7(12-6)13-2/h3-10H,1-2H3/t3-,4?,5?,6-,7-/m0/s1
InChIKeyCTNMZQSJMXMPQV-DEDOYCFFSA-N
MW210.25 g/mol
LogP-1.24
Rot. Bonds2

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

(2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol (PubChem CID 71056568) has the molecular formula C7H14O5S and a molecular weight of 210.25 g/mol. Its IUPAC name is (2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol
PubChem CID71056568
Molecular FormulaC7H14O5S
Molecular Weight210.25 g/mol
Exact Mass210.06
IUPAC Name(2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol
SMILESCO[C@H]1O[C@@H](SC)C(O)[C@@H](O)C1O
InChIInChI=1S/C7H14O5S/c1-11-6-4(9)3(8)5(10)7(12-6)13-2/h3-10H,1-2H3/t3-,4?,5?,6-,7-/m0/s1
InChIKeyCTNMZQSJMXMPQV-DEDOYCFFSA-N
XLogP-1.24
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol?
The IUPAC name of (2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol (CID 71056568) is (2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol is CO[C@H]1O[C@@H](SC)C(O)[C@@H](O)C1O.
What is the InChIKey of (2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol?
The InChIKey is CTNMZQSJMXMPQV-DEDOYCFFSA-N. The full InChI is InChI=1S/C7H14O5S/c1-11-6-4(9)3(8)5(10)7(12-6)13-2/h3-10H,1-2H3/t3-,4?,5?,6-,7-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol?
(2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol has a molecular weight of 210.25 g/mol, XLogP of -1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methoxy-6-methylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 71056568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).