(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

C14H27NO10 — CID 54428227

IUPAC(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O
InChIInChI=1S/C14H27NO10/c1-2-22-14-11(21)12(9(19)6(4-17)24-14)25-13-7(15)10(20)8(18)5(3-16)23-13/h5-14,16-21H,2-4,15H2,1H3/t5-,6-,7-,8-,9+,10-,11-,12+,13+,14-/m1/s1
InChIKeyWFQCUSNECGRTRN-KDCFQKHQSA-N
MW369.37 g/mol
LogP-4.39
Rot. Bonds6

About (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 54428227) has the molecular formula C14H27NO10 and a molecular weight of 369.37 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID54428227
Molecular FormulaC14H27NO10
Molecular Weight369.37 g/mol
Exact Mass369.16
IUPAC Name(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O
InChIInChI=1S/C14H27NO10/c1-2-22-14-11(21)12(9(19)6(4-17)24-14)25-13-7(15)10(20)8(18)5(3-16)23-13/h5-14,16-21H,2-4,15H2,1H3/t5-,6-,7-,8-,9+,10-,11-,12+,13+,14-/m1/s1
InChIKeyWFQCUSNECGRTRN-KDCFQKHQSA-N
XLogP-4.39
TPSA184.32 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500369.37
LogP ≤ 5-4.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

2-[2-[2-[2-[2-[2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167206332
2-[[4-[4-[(5S)-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-ethoxy-3,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59701761
(1R,2R,3R,4S,5R,6S)-4-[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxycyclohexane-1,2,3,5-tetrol
CID 10476643
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
2-[[4-[3-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 20756459
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(3R,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167273002
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67410978
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (CID 54428227) is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is WFQCUSNECGRTRN-KDCFQKHQSA-N. The full InChI is InChI=1S/C14H27NO10/c1-2-22-14-11(21)12(9(19)6(4-17)24-14)25-13-7(15)10(20)8(18)5(3-16)23-13/h5-14,16-21H,2-4,15H2,1H3/t5-,6-,7-,8-,9+,10-,11-,12+,13+,14-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 369.37 g/mol, XLogP of -4.39, 6 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3R,4S,5S,6R)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 54428227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).