2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol

C26H49N5O11 — CID 167670235

IUPAC2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol
SMILESCC1C(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(C4(N)CC4)CCC3N)C2O)OC(CN)C(O)C1O
InChIInChI=1S/C26H49N5O11/c1-9-16(33)18(35)13(7-27)37-23(9)41-21-14(8-32)38-25(19(21)36)42-22-17(34)11(29)6-12(30)20(22)40-24-10(28)2-3-15(39-24)26(31)4-5-26/h9-25,32-36H,2-8,27-31H2,1H3
InChIKeyLGYCFTMUMWFCTI-UHFFFAOYSA-N
MW607.70 g/mol
LogP-5.00
Rot. Bonds9

About 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol

2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol (PubChem CID 167670235) has the molecular formula C26H49N5O11 and a molecular weight of 607.70 g/mol. Its IUPAC name is 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol.

Molecular Properties

Compound Name2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol
PubChem CID167670235
Molecular FormulaC26H49N5O11
Molecular Weight607.70 g/mol
Exact Mass607.34
IUPAC Name2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol
SMILESCC1C(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(C4(N)CC4)CCC3N)C2O)OC(CN)C(O)C1O
InChIInChI=1S/C26H49N5O11/c1-9-16(33)18(35)13(7-27)37-23(9)41-21-14(8-32)38-25(19(21)36)42-22-17(34)11(29)6-12(30)20(22)40-24-10(28)2-3-15(39-24)26(31)4-5-26/h9-25,32-36H,2-8,27-31H2,1H3
InChIKeyLGYCFTMUMWFCTI-UHFFFAOYSA-N
XLogP-5.00
TPSA286.63 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500607.70
LogP ≤ 5-5.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S,4R,5R)-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol
CID 167670239
(2S,3S,4R,5R)-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1S)-1-(methylamino)ethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol
CID 167670241
5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 167616473
2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol
CID 167566305
2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol;bis(2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol)
CID 167566304
(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,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
(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,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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol?
The IUPAC name of 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol (CID 167670235) is 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol.
What is the SMILES notation for 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol?
The canonical SMILES for 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol is CC1C(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(C4(N)CC4)CCC3N)C2O)OC(CN)C(O)C1O.
What is the InChIKey of 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol?
The InChIKey is LGYCFTMUMWFCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N5O11/c1-9-16(33)18(35)13(7-27)37-23(9)41-21-14(8-32)38-25(19(21)36)42-22-17(34)11(29)6-12(30)20(22)40-24-10(28)2-3-15(39-24)26(31)4-5-26/h9-25,32-36H,2-8,27-31H2,1H3.
What are the key properties of 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol?
2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol has a molecular weight of 607.70 g/mol, XLogP of -5.00, 9 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-6-(1-aminocyclopropyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol is sourced from PubChem (CID 167670235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).