(2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol

C13H24O7 — CID 137321206

IUPAC(2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](C[C@H]2C[C@@H](CO)O[C@@H](O)C2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H24O7/c1-6-11(16)13(18)12(17)9(19-6)3-7-2-8(5-14)20-10(15)4-7/h6-18H,2-5H2,1H3/t6-,7+,8-,9-,10+,11+,12+,13+/m0/s1
InChIKeyROOQANRWEBNDFF-VBFQFBHJSA-N
MW292.33 g/mol
LogP-1.65
Rot. Bonds3

About (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol

(2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol (PubChem CID 137321206) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol
PubChem CID137321206
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name(2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](C[C@H]2C[C@@H](CO)O[C@@H](O)C2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H24O7/c1-6-11(16)13(18)12(17)9(19-6)3-7-2-8(5-14)20-10(15)4-7/h6-18H,2-5H2,1H3/t6-,7+,8-,9-,10+,11+,12+,13+/m0/s1
InChIKeyROOQANRWEBNDFF-VBFQFBHJSA-N
XLogP-1.65
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-1.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol (CID 137321206) is (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol is C[C@@H]1O[C@@H](C[C@H]2C[C@@H](CO)O[C@@H](O)C2)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol?
The InChIKey is ROOQANRWEBNDFF-VBFQFBHJSA-N. The full InChI is InChI=1S/C13H24O7/c1-6-11(16)13(18)12(17)9(19-6)3-7-2-8(5-14)20-10(15)4-7/h6-18H,2-5H2,1H3/t6-,7+,8-,9-,10+,11+,12+,13+/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol?
(2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol has a molecular weight of 292.33 g/mol, XLogP of -1.65, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6S)-2-[[(2R,4R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]methyl]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 137321206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).