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

C12H22O8 — CID 54220303

IUPAC(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2C)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H22O8/c1-4-7(14)9(16)10(17)12(19-4)20-11-5(2)18-3-6(13)8(11)15/h4-17H,3H2,1-2H3/t4-,5-,6-,7+,8-,9+,10-,11-,12-/m0/s1
InChIKeyGBKROOUYIUGMKR-JEMCPONHSA-N
MW294.30 g/mol
LogP-2.66
Rot. Bonds2

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

(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 54220303) has the molecular formula C12H22O8 and a molecular weight of 294.30 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
PubChem CID54220303
Molecular FormulaC12H22O8
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Name(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2C)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H22O8/c1-4-7(14)9(16)10(17)12(19-4)20-11-5(2)18-3-6(13)8(11)15/h4-17H,3H2,1-2H3/t4-,5-,6-,7+,8-,9+,10-,11-,12-/m0/s1
InChIKeyGBKROOUYIUGMKR-JEMCPONHSA-N
XLogP-2.66
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-2.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

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Related Compounds

(2S,3R,4S,5R,6R)-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-6-methyloxane-2,4,5-triol
CID 91853985
(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
(3S,5R)-2-[(3R,5S)-4,5-dihydroxy-2,6-dimethyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 121354836
(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,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
(2R,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-5-hydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-2,3,5-triol
CID 91852203
(2R,3R,4S,5R,6S)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-methyl-6-[(2R,3R,4R,5S,6R)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 163040774
(2S,3R,4R,5R,6S)-2-methyl-6-[(2S,3R,4S,5R)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
CID 91854438
2-[4,5-dihydroxy-2-methyl-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 146507394
(2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4R,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 162845400
(2R,3R,4S,5R,6R)-6-methyl-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91860100
(3R,4R,5R,6S)-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91848231

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
The IUPAC name of (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) is (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol is C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2C)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
The InChIKey is GBKROOUYIUGMKR-JEMCPONHSA-N. The full InChI is InChI=1S/C12H22O8/c1-4-7(14)9(16)10(17)12(19-4)20-11-5(2)18-3-6(13)8(11)15/h4-17H,3H2,1-2H3/t4-,5-,6-,7+,8-,9+,10-,11-,12-/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 294.30 g/mol, XLogP of -2.66, 2 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-[(2S,3R,4S,5S)-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 54220303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).