(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol

C12H22O9 — CID 10924935

IUPAC(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
SMILESCO[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C12H22O9/c1-4-6(14)7(15)8(16)12(20-4)21-10-5(13)3-19-11(18-2)9(10)17/h4-17H,3H2,1-2H3/t4-,5-,6+,7+,8-,9-,10+,11-,12+/m1/s1
InChIKeyYSNSEFVYYFCGCB-QZUDCSBFSA-N
MW310.30 g/mol
LogP-3.08
Rot. Bonds3

About (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol

(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 10924935) has the molecular formula C12H22O9 and a molecular weight of 310.30 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
PubChem CID10924935
Molecular FormulaC12H22O9
Molecular Weight310.30 g/mol
Exact Mass310.13
IUPAC Name(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
SMILESCO[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C12H22O9/c1-4-6(14)7(15)8(16)12(20-4)21-10-5(13)3-19-11(18-2)9(10)17/h4-17H,3H2,1-2H3/t4-,5-,6+,7+,8-,9-,10+,11-,12+/m1/s1
InChIKeyYSNSEFVYYFCGCB-QZUDCSBFSA-N
XLogP-3.08
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 5-3.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 10257799
(2S,3S,4R,5R)-2-[(2R,3R,4R,5R,6S)-6-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
CID 162948335
(2R,5S)-2-[(2R,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70971830
(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 54220303
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(2S,3R,4S,5R)-3,5-dihydroxy-2-[(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 91855996
(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6S)-5-hydroxy-2-methoxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 139084048
(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-methoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 101060857
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol (CID 10924935) is (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol is CO[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol?
The InChIKey is YSNSEFVYYFCGCB-QZUDCSBFSA-N. The full InChI is InChI=1S/C12H22O9/c1-4-6(14)7(15)8(16)12(20-4)21-10-5(13)3-19-11(18-2)9(10)17/h4-17H,3H2,1-2H3/t4-,5-,6+,7+,8-,9-,10+,11-,12+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol?
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 310.30 g/mol, XLogP of -3.08, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 10924935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).