(2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol

C12H22O9 — CID 90065771

IUPAC(2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
SMILESCCO[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)C(O)C2O)C(O)C1O
InChIInChI=1S/C12H22O9/c1-2-18-5-3-20-12(10(16)7(5)13)21-6-4-19-11(17)9(15)8(6)14/h5-17H,2-4H2,1H3/t5-,6-,7?,8?,9?,10?,11-,12+/m1/s1
InChIKeyLRVITSQJWUGNQW-IKDDBCFHSA-N
MW310.30 g/mol
LogP-3.07
Rot. Bonds4

About (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol

(2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol (PubChem CID 90065771) has the molecular formula C12H22O9 and a molecular weight of 310.30 g/mol. Its IUPAC name is (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol.

Molecular Properties

Compound Name(2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
PubChem CID90065771
Molecular FormulaC12H22O9
Molecular Weight310.30 g/mol
Exact Mass310.13
IUPAC Name(2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
SMILESCCO[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)C(O)C2O)C(O)C1O
InChIInChI=1S/C12H22O9/c1-2-18-5-3-20-12(10(16)7(5)13)21-6-4-19-11(17)9(15)8(6)14/h5-17H,2-4H2,1H3/t5-,6-,7?,8?,9?,10?,11-,12+/m1/s1
InChIKeyLRVITSQJWUGNQW-IKDDBCFHSA-N
XLogP-3.07
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 5-3.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol with MolForge

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Related Compounds

(2S,4S,5R)-2-[(3R,4R,6S)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-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]oxyoxane-3,4,5-triol
CID 177095235
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 5289597
(2R,3R,4S,5R)-2-[(3R,4S,5S,6R)-4,5-dihydroxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 125121442
(2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-4-hydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 171933352
(2R,3R,4S,5R)-2-[(2S,3R,4S,5R)-3,5-dihydroxy-2-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 91859051
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-5-hydroxy-4-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 171125263
(2R,3S,4R,5S)-3-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,4,5-triol
CID 156616764
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 156619104
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 25235749
5-[4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
CID 78382559
(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
(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 (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol?
The IUPAC name of (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol (CID 90065771) is (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol.
What is the SMILES notation for (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol?
The canonical SMILES for (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol is CCO[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)C(O)C2O)C(O)C1O.
What is the InChIKey of (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol?
The InChIKey is LRVITSQJWUGNQW-IKDDBCFHSA-N. The full InChI is InChI=1S/C12H22O9/c1-2-18-5-3-20-12(10(16)7(5)13)21-6-4-19-11(17)9(15)8(6)14/h5-17H,2-4H2,1H3/t5-,6-,7?,8?,9?,10?,11-,12+/m1/s1.
What are the key properties of (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol?
(2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol has a molecular weight of 310.30 g/mol, XLogP of -3.07, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[(2S,5R)-5-ethoxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol is sourced from PubChem (CID 90065771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).