5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol

C25H49N5O12 — CID 69478596

IUPAC5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
SMILESCCC1OC(OC2C(N)CC(NC)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(N)CC1O
InChIInChI=1S/C25H49N5O12/c1-3-12-11(32)5-9(28)23(37-12)40-20-8(27)4-10(30-2)16(33)22(20)42-25-19(36)21(14(7-31)39-25)41-24-15(29)18(35)17(34)13(6-26)38-24/h8-25,30-36H,3-7,26-29H2,1-2H3
InChIKeyARSHKLDBOAAXRY-UHFFFAOYSA-N
MW611.69 g/mol
LogP-6.15
Rot. Bonds10

About 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol

5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol (PubChem CID 69478596) has the molecular formula C25H49N5O12 and a molecular weight of 611.69 g/mol. Its IUPAC name is 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
PubChem CID69478596
Molecular FormulaC25H49N5O12
Molecular Weight611.69 g/mol
Exact Mass611.34
IUPAC Name5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
SMILESCCC1OC(OC2C(N)CC(NC)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(N)CC1O
InChIInChI=1S/C25H49N5O12/c1-3-12-11(32)5-9(28)23(37-12)40-20-8(27)4-10(30-2)16(33)22(20)42-25-19(36)21(14(7-31)39-25)41-24-15(29)18(35)17(34)13(6-26)38-24/h8-25,30-36H,3-7,26-29H2,1-2H3
InChIKeyARSHKLDBOAAXRY-UHFFFAOYSA-N
XLogP-6.15
TPSA292.87 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500611.69
LogP ≤ 5-6.15
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

(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,5S,6R)-5-amino-6-[(1R,2R,3R,4R,6R)-6-amino-2-[(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 162873157
(2R,3R,4R,5R,6R)-5-amino-6-[(1S,2R,3R,4R,6S)-6-amino-2-[(2R,3R,4S,5R)-4-[(2S,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 162873159
(2S,3R,4S,5R,6S)-5-amino-6-[(2S,3R,4R,5R)-5-[(1R,2S,3S,5R,6S)-3-amino-2-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 163020439
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 71307092
(3S,4R,6S)-5-amino-2-(aminomethyl)-6-[(1R,3R,4R)-4,6-diamino-2-[(3S,4R)-4-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 118213768
(2R,3R,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(1S,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2S,3R,4R,5R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 124762242
(2R,3R,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2S,3S,4R,6S)-4,6-diamino-2-[(2S,3S,4S,5R)-4-[(3S,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 50986323
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2S,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 24871322
(2S,3R,4R,5S,6S)-5-amino-2-(aminomethyl)-6-[(1S,2R,3S,4S,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2S,3S,4R,5R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 98106378
(2R,3R,4R,5S,6S)-5-amino-2-(aminomethyl)-6-[(1S,2R,3R,4R,6S)-4,6-diamino-2-[(2R,3R,4S,5S)-4-[(2R,3R,4S,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 124858522
(2S,3S,4R,5S,6R)-2-[(2S,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4-hydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 12960577

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol?
The IUPAC name of 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol (CID 69478596) is 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol.
What is the SMILES notation for 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol?
The canonical SMILES for 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol is CCC1OC(OC2C(N)CC(NC)C(O)C2OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(N)CC1O.
What is the InChIKey of 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol?
The InChIKey is ARSHKLDBOAAXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N5O12/c1-3-12-11(32)5-9(28)23(37-12)40-20-8(27)4-10(30-2)16(33)22(20)42-25-19(36)21(14(7-31)39-25)41-24-15(29)18(35)17(34)13(6-26)38-24/h8-25,30-36H,3-7,26-29H2,1-2H3.
What are the key properties of 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol?
5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol has a molecular weight of 611.69 g/mol, XLogP of -6.15, 10 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[5-[3-amino-2-(3-amino-6-ethyl-5-hydroxyoxan-2-yl)oxy-6-hydroxy-5-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol is sourced from PubChem (CID 69478596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).