(2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol

C13H24O9 — CID 91855274

IUPAC(2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
SMILESCO[C@H]1[C@@H](O[C@H]2O[C@H](C)[C@H](O)C[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C13H24O9/c1-5-6(15)3-7(16)13(20-5)22-10-9(17)8(4-14)21-12(18)11(10)19-2/h5-18H,3-4H2,1-2H3/t5-,6-,7-,8-,9-,10+,11+,12+,13-/m1/s1
InChIKeyWZFIPFNXZDJKDQ-VGYCTZQPSA-N
MW324.33 g/mol
LogP-2.69
Rot. Bonds4

About (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol

(2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol (PubChem CID 91855274) has the molecular formula C13H24O9 and a molecular weight of 324.33 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
PubChem CID91855274
Molecular FormulaC13H24O9
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name(2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
SMILESCO[C@H]1[C@@H](O[C@H]2O[C@H](C)[C@H](O)C[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C13H24O9/c1-5-6(15)3-7(16)13(20-5)22-10-9(17)8(4-14)21-12(18)11(10)19-2/h5-18H,3-4H2,1-2H3/t5-,6-,7-,8-,9-,10+,11+,12+,13-/m1/s1
InChIKeyWZFIPFNXZDJKDQ-VGYCTZQPSA-N
XLogP-2.69
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 5-2.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol with MolForge

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Related Compounds

(2S,3R,4S,5S,6R)-2-[(3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91851654
(2R,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6S)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91850988
(3R,4S,5R,6S)-5-[(2R,3S,4S,5R,6R)-4-[(2R,3R,5S,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-2,3,4-triol
CID 91847969
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-3-[(2S,3S,5S,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 91852302
N-[(3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-3-[(2S,3S,5S,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 118796936
(2R,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 91847390
(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 56611045
(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 162920396
(2S,3S,4R,5S,6S)-2-[(3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 91852767
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 91847034
2-[2,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 23396810

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol?
The IUPAC name of (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol (CID 91855274) is (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol.
What is the SMILES notation for (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol?
The canonical SMILES for (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol is CO[C@H]1[C@@H](O[C@H]2O[C@H](C)[C@H](O)C[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol?
The InChIKey is WZFIPFNXZDJKDQ-VGYCTZQPSA-N. The full InChI is InChI=1S/C13H24O9/c1-5-6(15)3-7(16)13(20-5)22-10-9(17)8(4-14)21-12(18)11(10)19-2/h5-18H,3-4H2,1-2H3/t5-,6-,7-,8-,9-,10+,11+,12+,13-/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol?
(2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol has a molecular weight of 324.33 g/mol, XLogP of -2.69, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol is sourced from PubChem (CID 91855274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).