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

C15H28O6 — CID 126492470

IUPAC(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol
SMILESCCC1O[C@@H](O[C@@H]2C(O)[C@H](O)OC[C@H]2O)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C15H28O6/c1-5-11-8(3)7(2)9(4)15(20-11)21-13-10(16)6-19-14(18)12(13)17/h7-18H,5-6H2,1-4H3/t7-,8+,9?,10+,11?,12?,13-,14+,15-/m0/s1
InChIKeyRPPJPROWIXJLJQ-BARJBYGSSA-N
MW304.38 g/mol
LogP0.49
Rot. Bonds3

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

(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol (PubChem CID 126492470) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is (2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol.

Molecular Properties

Compound Name(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol
PubChem CID126492470
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol
SMILESCCC1O[C@@H](O[C@@H]2C(O)[C@H](O)OC[C@H]2O)C(C)[C@@H](C)[C@H]1C
InChIInChI=1S/C15H28O6/c1-5-11-8(3)7(2)9(4)15(20-11)21-13-10(16)6-19-14(18)12(13)17/h7-18H,5-6H2,1-4H3/t7-,8+,9?,10+,11?,12?,13-,14+,15-/m0/s1
InChIKeyRPPJPROWIXJLJQ-BARJBYGSSA-N
XLogP0.49
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3S,4R,5R)-2,3,5-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 93234247
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R)-2,3,5-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 91862423
(3S,4R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 59101140
(3S,4R,6S)-2-ethyl-6-[(3S,4R)-2-ethyl-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 70820079
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 177396852
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
3-(6-ethyl-5-hydroxy-3,4-dimethyloxan-2-yl)oxy-4,6-dimethylcyclohexane-1,2-diol
CID 59612294
(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(4S,5S)-6-ethyl-2,4,5-trimethyloxan-3-yl]oxy-3,5-dimethyloxane
CID 158555305
(2S,3S,5R)-6-ethyl-3-[(1R,4R)-5-ethyl-2,3,4-trimethylcyclohexyl]oxy-4-[(2S,3S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyloxan-2-ol
CID 161084104
(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane
CID 134169133
(2S,4R,5R)-6-ethyl-2-[(3S,6R)-2-ethyl-6-[(3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[(3R,4R,6S)-6-[(3S,6R)-2-ethyl-6-[(2S,3S,6R)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4-hydroxy-5-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyloxan-3-ol
CID 59044690

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol?
The IUPAC name of (2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol (CID 126492470) is (2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol.
What is the SMILES notation for (2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol?
The canonical SMILES for (2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol is CCC1O[C@@H](O[C@@H]2C(O)[C@H](O)OC[C@H]2O)C(C)[C@@H](C)[C@H]1C.
What is the InChIKey of (2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol?
The InChIKey is RPPJPROWIXJLJQ-BARJBYGSSA-N. The full InChI is InChI=1S/C15H28O6/c1-5-11-8(3)7(2)9(4)15(20-11)21-13-10(16)6-19-14(18)12(13)17/h7-18H,5-6H2,1-4H3/t7-,8+,9?,10+,11?,12?,13-,14+,15-/m0/s1.
What are the key properties of (2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol?
(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol has a molecular weight of 304.38 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol is sourced from PubChem (CID 126492470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).