5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol

C15H32N4O6 — CID 70795905

IUPAC5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol
SMILESCCNC1CC(N)C(OC2OC(CNC)C(O)C(O)C2N)C(O)C1O
InChIInChI=1S/C15H32N4O6/c1-3-19-7-4-6(16)14(13(23)10(7)20)25-15-9(17)12(22)11(21)8(24-15)5-18-2/h6-15,18-23H,3-5,16-17H2,1-2H3
InChIKeyGJIMZEVOYCPVED-UHFFFAOYSA-N
MW364.44 g/mol
LogP-4.20
Rot. Bonds6

About 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol

5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol (PubChem CID 70795905) has the molecular formula C15H32N4O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol
PubChem CID70795905
Molecular FormulaC15H32N4O6
Molecular Weight364.44 g/mol
Exact Mass364.23
IUPAC Name5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol
SMILESCCNC1CC(N)C(OC2OC(CNC)C(O)C(O)C2N)C(O)C1O
InChIInChI=1S/C15H32N4O6/c1-3-19-7-4-6(16)14(13(23)10(7)20)25-15-9(17)12(22)11(21)8(24-15)5-18-2/h6-15,18-23H,3-5,16-17H2,1-2H3
InChIKeyGJIMZEVOYCPVED-UHFFFAOYSA-N
XLogP-4.20
TPSA175.48 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 5-4.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol with MolForge

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Related Compounds

(3S,5S,6S)-5-amino-6-[(1R,2R,3R)-6-amino-2,3-dihydroxy-4-(propylamino)cyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 174000519
(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol
CID 90668417
(2R,3R,4S,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-3,4-diol
CID 131883848
copper (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-3,4-diol
CID 10178178
5-amino-6-[(2R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol
CID 166766937
5-amino-6-[6-amino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-2-(ethylaminomethyl)oxane-3,4-diol
CID 77358948
(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-6-amino-2,3-dihydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 167615692
(2S,3R,4S,5S,6R)-5-amino-6-[(1S,2S,3R,4S,6R)-6-amino-2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(methylamino)cyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 163056908
(2R,3R,4S,5R,6R)-5-amino-6-(aminomethyl)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 11420275
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-3,4-diol;sulfuric acid
CID 44558870
(3S,6S)-5-amino-6-[(1R,4R)-4,6-diamino-3-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 118213734
1-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-2,3-dihydroxycyclohexyl]guanidine
CID 176533790

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol?
The IUPAC name of 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol (CID 70795905) is 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol.
What is the SMILES notation for 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol?
The canonical SMILES for 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol is CCNC1CC(N)C(OC2OC(CNC)C(O)C(O)C2N)C(O)C1O.
What is the InChIKey of 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol?
The InChIKey is GJIMZEVOYCPVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O6/c1-3-19-7-4-6(16)14(13(23)10(7)20)25-15-9(17)12(22)11(21)8(24-15)5-18-2/h6-15,18-23H,3-5,16-17H2,1-2H3.
What are the key properties of 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol?
5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol has a molecular weight of 364.44 g/mol, XLogP of -4.20, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[6-amino-4-(ethylamino)-2,3-dihydroxycyclohexyl]oxy-2-(methylaminomethyl)oxane-3,4-diol is sourced from PubChem (CID 70795905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).