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

C14H26O8 — CID 137322691

IUPAC(2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol
SMILESCO[C@@H]1C[C@@H](C[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C14H26O8/c1-6-11(16)14(19)13(18)8(21-6)3-7-4-10(20-2)22-9(5-15)12(7)17/h6-19H,3-5H2,1-2H3/t6-,7+,8-,9+,10-,11+,12-,13+,14+/m0/s1
InChIKeyZKQNJYZBKMAROQ-UDZHPATASA-N
MW322.35 g/mol
LogP-2.02
Rot. Bonds4

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

(2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol (PubChem CID 137322691) has the molecular formula C14H26O8 and a molecular weight of 322.35 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol
PubChem CID137322691
Molecular FormulaC14H26O8
Molecular Weight322.35 g/mol
Exact Mass322.16
IUPAC Name(2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol
SMILESCO[C@@H]1C[C@@H](C[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C14H26O8/c1-6-11(16)14(19)13(18)8(21-6)3-7-4-10(20-2)22-9(5-15)12(7)17/h6-19H,3-5H2,1-2H3/t6-,7+,8-,9+,10-,11+,12-,13+,14+/m0/s1
InChIKeyZKQNJYZBKMAROQ-UDZHPATASA-N
XLogP-2.02
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-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,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol (CID 137322691) is (2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol is CO[C@@H]1C[C@@H](C[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol?
The InChIKey is ZKQNJYZBKMAROQ-UDZHPATASA-N. The full InChI is InChI=1S/C14H26O8/c1-6-11(16)14(19)13(18)8(21-6)3-7-4-10(20-2)22-9(5-15)12(7)17/h6-19H,3-5H2,1-2H3/t6-,7+,8-,9+,10-,11+,12-,13+,14+/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol?
(2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol has a molecular weight of 322.35 g/mol, XLogP of -2.02, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6S)-2-[[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 137322691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).