(3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol

C17H30O15 — CID 146016125

IUPAC(3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol
SMILESOC[C@H]1OC(CO)(OCC2(OC3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H30O15/c18-1-7-10(23)13(26)16(4-20,30-7)29-5-17(14(27)11(24)8(2-19)31-17)32-15-12(25)9(22)6(21)3-28-15/h6-15,18-27H,1-5H2/t6-,7-,8-,9+,10-,11-,12-,13+,14+,15?,16?,17?/m1/s1
InChIKeyQDSNKDJBJJQVII-OOBWXJLNSA-N
MW474.41 g/mol
LogP-6.93
Rot. Bonds8

About (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol

(3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol (PubChem CID 146016125) has the molecular formula C17H30O15 and a molecular weight of 474.41 g/mol. Its IUPAC name is (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol
PubChem CID146016125
Molecular FormulaC17H30O15
Molecular Weight474.41 g/mol
Exact Mass474.16
IUPAC Name(3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol
SMILESOC[C@H]1OC(CO)(OCC2(OC3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H30O15/c18-1-7-10(23)13(26)16(4-20,30-7)29-5-17(14(27)11(24)8(2-19)31-17)32-15-12(25)9(22)6(21)3-28-15/h6-15,18-27H,1-5H2/t6-,7-,8-,9+,10-,11-,12-,13+,14+,15?,16?,17?/m1/s1
InChIKeyQDSNKDJBJJQVII-OOBWXJLNSA-N
XLogP-6.93
TPSA248.45 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds8
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 (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-[(2S,3S,4S,5R)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol
CID 102578164
2-[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 5045177
2-[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 138108383
2-[2-[[2-[[2-[[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 75585866
(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91852057
(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2R,3S,4S,5S)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 162972533
2-[[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 14656613
(3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 91845169
(2S,3S,4S,5R,6S)-6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 163199414
(2R,4S,5S)-2-[(2S,3R,5R)-2-[[(2R,3R,5R)-2-ethyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170533430
2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 78391302
(3S,4R,5R,6S)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 156614239

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol (CID 146016125) is (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol is OC[C@H]1OC(CO)(OCC2(OC3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol?
The InChIKey is QDSNKDJBJJQVII-OOBWXJLNSA-N. The full InChI is InChI=1S/C17H30O15/c18-1-7-10(23)13(26)16(4-20,30-7)29-5-17(14(27)11(24)8(2-19)31-17)32-15-12(25)9(22)6(21)3-28-15/h6-15,18-27H,1-5H2/t6-,7-,8-,9+,10-,11-,12-,13+,14+,15?,16?,17?/m1/s1.
What are the key properties of (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol?
(3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol has a molecular weight of 474.41 g/mol, XLogP of -6.93, 8 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-[(3S,4S,5R)-2-[[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 146016125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).