(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol

C12H22O8 — CID 147119634

IUPAC(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1C[C@@H](O)[C@H](O)[C@@H](O[C@H]2CO[C@H](CO)[C@@H](O)C2)O1
InChIInChI=1S/C12H22O8/c13-3-6-1-9(16)11(17)12(19-6)20-7-2-8(15)10(4-14)18-5-7/h6-17H,1-5H2/t6-,7-,8+,9-,10-,11+,12-/m1/s1
InChIKeyOMFYYJCHVOZNPR-FGJFCTRUSA-N
MW294.30 g/mol
LogP-2.66
Rot. Bonds4

About (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 147119634) has the molecular formula C12H22O8 and a molecular weight of 294.30 g/mol. Its IUPAC name is (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID147119634
Molecular FormulaC12H22O8
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Name(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1C[C@@H](O)[C@H](O)[C@@H](O[C@H]2CO[C@H](CO)[C@@H](O)C2)O1
InChIInChI=1S/C12H22O8/c13-3-6-1-9(16)11(17)12(19-6)20-7-2-8(15)10(4-14)18-5-7/h6-17H,1-5H2/t6-,7-,8+,9-,10-,11+,12-/m1/s1
InChIKeyOMFYYJCHVOZNPR-FGJFCTRUSA-N
XLogP-2.66
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
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 (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

[(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate
CID 147119633
(2R,3R,4S)-2-[(2R,4S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 167113171
[(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite
CID 118002144
(2S,4R,5R)-2-[(3S,6R)-5,6-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;methanol
CID 91516451
(2S,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 129120159
3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CID 162768130
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 155298605
(2S,3R,4S,5R)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5S)-4-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 167111903
(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol
CID 143974221
(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,6S)-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 42631468
(2R,3S,4R,5R,6S)-3-amino-2-[(2S,3R,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2R,3S,4S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-ol;(2S,3R,4S,5S,6R)-3-amino-2-[(2R,3S,4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2S,3R,4R,6S)-3-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-ol;tris(lanthanum(3+))
CID 139211987

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol (CID 147119634) is (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1C[C@@H](O)[C@H](O)[C@@H](O[C@H]2CO[C@H](CO)[C@@H](O)C2)O1.
What is the InChIKey of (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is OMFYYJCHVOZNPR-FGJFCTRUSA-N. The full InChI is InChI=1S/C12H22O8/c13-3-6-1-9(16)11(17)12(19-6)20-7-2-8(15)10(4-14)18-5-7/h6-17H,1-5H2/t6-,7-,8+,9-,10-,11+,12-/m1/s1.
What are the key properties of (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 294.30 g/mol, XLogP of -2.66, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 147119634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).