(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol

C17H30O15 — CID 171122294

IUPAC(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1O[C@H](O[C@@H]2CO[C@@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H30O15/c18-1-4-8(21)11(24)14(15(27)29-4)32-16-12(25)9(22)6(3-28-16)31-17-13(26)10(23)7(20)5(2-19)30-17/h4-27H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11+,12-,13+,14+,15+,16+,17-/m1/s1
InChIKeyRYRYHVPANZEOPR-BFVUWCBTSA-N
MW474.41 g/mol
LogP-6.93
Rot. Bonds6

About (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol

(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 171122294) has the molecular formula C17H30O15 and a molecular weight of 474.41 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID171122294
Molecular FormulaC17H30O15
Molecular Weight474.41 g/mol
Exact Mass474.16
IUPAC Name(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1O[C@H](O[C@@H]2CO[C@@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H30O15/c18-1-4-8(21)11(24)14(15(27)29-4)32-16-12(25)9(22)6(3-28-16)31-17-13(26)10(23)7(20)5(2-19)30-17/h4-27H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11+,12-,13+,14+,15+,16+,17-/m1/s1
InChIKeyRYRYHVPANZEOPR-BFVUWCBTSA-N
XLogP-6.93
TPSA248.45 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500474.41
LogP ≤ 5-6.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-2-[(3R,4R,5R,6R)-6-[(3R,4R,5R,6R)-4,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14607279
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 25235749
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 21121202
(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 67702969
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 135325176
6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 4623424
(2S,4R,5R,6S)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 86575080
(2R,5S)-6-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 156587389
(2R,3R,4R,5R,6S)-6-(hydroxymethyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 173117465
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 11954203
(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91862328
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol;hydrate
CID 91872463

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (CID 171122294) is (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol is OC[C@H]1O[C@H](O[C@@H]2CO[C@@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is RYRYHVPANZEOPR-BFVUWCBTSA-N. The full InChI is InChI=1S/C17H30O15/c18-1-4-8(21)11(24)14(15(27)29-4)32-16-12(25)9(22)6(3-28-16)31-17-13(26)10(23)7(20)5(2-19)30-17/h4-27H,1-3H2/t4-,5-,6-,7-,8-,9+,10+,11+,12-,13+,14+,15+,16+,17-/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 474.41 g/mol, XLogP of -6.93, 6 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 171122294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).