(2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol

C21H38O13 — CID 163711682

IUPAC(2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
SMILESCC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O[C@@H]3[C@H](O)[C@H](O)[C@H](O)O[C@@H]3CC)O[C@@H]2CC)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H38O13/c1-4-7-10(22)11(23)15(27)20(31-7)34-18-9(6-3)32-21(16(28)13(18)25)33-17-8(5-2)30-19(29)14(26)12(17)24/h7-29H,4-6H2,1-3H3/t7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17+,18+,19-,20+,21+/m1/s1
InChIKeyKJUKIJDPWDNOFW-SYQZAGGOSA-N
MW498.52 g/mol
LogP-3.32
Rot. Bonds7

About (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol

(2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol (PubChem CID 163711682) has the molecular formula C21H38O13 and a molecular weight of 498.52 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
PubChem CID163711682
Molecular FormulaC21H38O13
Molecular Weight498.52 g/mol
Exact Mass498.23
IUPAC Name(2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
SMILESCC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O[C@@H]3[C@H](O)[C@H](O)[C@H](O)O[C@@H]3CC)O[C@@H]2CC)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H38O13/c1-4-7-10(22)11(23)15(27)20(31-7)34-18-9(6-3)32-21(16(28)13(18)25)33-17-8(5-2)30-19(29)14(26)12(17)24/h7-29H,4-6H2,1-3H3/t7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17+,18+,19-,20+,21+/m1/s1
InChIKeyKJUKIJDPWDNOFW-SYQZAGGOSA-N
XLogP-3.32
TPSA207.99 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500498.52
LogP ≤ 5-3.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

ethanol;(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 68787195
2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol
CID 21339731
2-[2-ethyl-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70834436
(2R,4R,5R)-2-[(3S,4S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-ethyloxane-3,4,5-triol
CID 174153569
(3S,4S,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,4R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91290100
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 124904106
(3S,5S,6S)-2-(hydroxymethyl)-6-[(3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 123271707
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91847646
(2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 11908489
(3R,4S,6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 59904077
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 131705644
2-(hydroxy(113C)methyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy(2,3,4,5,6-13C5)oxane-3,4,5-triol
CID 169435877

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol (CID 163711682) is (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol is CC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O[C@@H]3[C@H](O)[C@H](O)[C@H](O)O[C@@H]3CC)O[C@@H]2CC)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol?
The InChIKey is KJUKIJDPWDNOFW-SYQZAGGOSA-N. The full InChI is InChI=1S/C21H38O13/c1-4-7-10(22)11(23)15(27)20(31-7)34-18-9(6-3)32-21(16(28)13(18)25)33-17-8(5-2)30-19(29)14(26)12(17)24/h7-29H,4-6H2,1-3H3/t7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17+,18+,19-,20+,21+/m1/s1.
What are the key properties of (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol?
(2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol has a molecular weight of 498.52 g/mol, XLogP of -3.32, 7 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 163711682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).