5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol

C25H42O21 — CID 163017835

IUPAC5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol
SMILESOCC1OC(OC2C(O)COC(OC3COC(OC4COC(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3O)C2O)C(O)C1O
InChIInChI=1S/C25H42O21/c26-1-7-11(29)15(33)24(41-7)45-19-6(28)3-39-22(17(19)35)44-10-5-40-23(43-9-4-38-21(37)14(32)13(9)31)18(36)20(10)46-25-16(34)12(30)8(2-27)42-25/h6-37H,1-5H2
InChIKeyIWYIMSTXEJDGND-UHFFFAOYSA-N
MW678.59 g/mol
LogP-8.73
Rot. Bonds10

About 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol

5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol (PubChem CID 163017835) has the molecular formula C25H42O21 and a molecular weight of 678.59 g/mol. Its IUPAC name is 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol.

Molecular Properties

Compound Name5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol
PubChem CID163017835
Molecular FormulaC25H42O21
Molecular Weight678.59 g/mol
Exact Mass678.22
IUPAC Name5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol
SMILESOCC1OC(OC2C(O)COC(OC3COC(OC4COC(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3O)C2O)C(O)C1O
InChIInChI=1S/C25H42O21/c26-1-7-11(29)15(33)24(41-7)45-19-6(28)3-39-22(17(19)35)44-10-5-40-23(43-9-4-38-21(37)14(32)13(9)31)18(36)20(10)46-25-16(34)12(30)8(2-27)42-25/h6-37H,1-5H2
InChIKeyIWYIMSTXEJDGND-UHFFFAOYSA-N
XLogP-8.73
TPSA325.83 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500678.59
LogP ≤ 5-8.73
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol
CID 163017836
5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
CID 78382559
(3R,4S,5R)-2-[(3R,4R,5R)-4-[(3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 91846111
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 91847238
2-[6-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[6-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[4,5-dihydroxy-6-(4,5,6-trihydroxyoxan-3-yl)oxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 163037106
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 91845027
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[(3R,4R,5R,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-5-hydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 91859413
(3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
CID 102024654
(2R,4R,5R)-5-[(2S,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2S,4S,5R)-3,4-bis[[(2S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy]-5-hydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
CID 177095300
(2S,4S,5R)-2-[(3R,4S,6S)-4,5-bis[[(2S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy]-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6S)-4,5-dihydroxy-6-[(3R,4R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 177095269
(2S,4S,5R)-2-[(3R,4S,6S)-4,5-bis[[(2S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy]-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6S)-4,5-dihydroxy-6-[(3R,4R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 177095211
(2R,4R,5R)-5-[(2S,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2R,4R,5R)-5-[(2S,4S,5R)-3-[(2S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
CID 177095214

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol?
The IUPAC name of 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol (CID 163017835) is 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol.
What is the SMILES notation for 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol?
The canonical SMILES for 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol is OCC1OC(OC2C(O)COC(OC3COC(OC4COC(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3O)C2O)C(O)C1O.
What is the InChIKey of 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol?
The InChIKey is IWYIMSTXEJDGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O21/c26-1-7-11(29)15(33)24(41-7)45-19-6(28)3-39-22(17(19)35)44-10-5-40-23(43-9-4-38-21(37)14(32)13(9)31)18(36)20(10)46-25-16(34)12(30)8(2-27)42-25/h6-37H,1-5H2.
What are the key properties of 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol?
5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol has a molecular weight of 678.59 g/mol, XLogP of -8.73, 10 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol is sourced from PubChem (CID 163017835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).