2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide

C26H50N6O11 — CID 90842168

IUPAC2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide
SMILESNCC1CCCC(OC2C(N)CC(NC(=O)C(N)CO)C(O)C2OC2OC(CO)C(OC3OC(CN)CCC3N)C2O)O1
InChIInChI=1S/C26H50N6O11/c27-7-11-2-1-3-18(38-11)41-21-14(30)6-16(32-24(37)15(31)9-33)19(35)23(21)43-26-20(36)22(17(10-34)40-26)42-25-13(29)5-4-12(8-28)39-25/h11-23,25-26,33-36H,1-10,27-31H2,(H,32,37)
InChIKeyTVMHWABQRLTWPY-UHFFFAOYSA-N
MW622.72 g/mol
LogP-5.24
Rot. Bonds12

About 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide

2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide (PubChem CID 90842168) has the molecular formula C26H50N6O11 and a molecular weight of 622.72 g/mol. Its IUPAC name is 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide
PubChem CID90842168
Molecular FormulaC26H50N6O11
Molecular Weight622.72 g/mol
Exact Mass622.35
IUPAC Name2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide
SMILESNCC1CCCC(OC2C(N)CC(NC(=O)C(N)CO)C(O)C2OC2OC(CO)C(OC3OC(CN)CCC3N)C2O)O1
InChIInChI=1S/C26H50N6O11/c27-7-11-2-1-3-18(38-11)41-21-14(30)6-16(32-24(37)15(31)9-33)19(35)23(21)43-26-20(36)22(17(10-34)40-26)42-25-13(29)5-4-12(8-28)39-25/h11-23,25-26,33-36H,1-10,27-31H2,(H,32,37)
InChIKeyTVMHWABQRLTWPY-UHFFFAOYSA-N
XLogP-5.24
TPSA295.50 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500622.72
LogP ≤ 5-5.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,6R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
CID 56839815
2-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,6R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]acetamide
CID 70670073
(3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(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-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-2,3-dihydroxybutanamide
CID 70847910
3-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,6R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide
CID 58503254
N-[5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxyazetidine-3-carboxamide
CID 76806511
(2S,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-(1,3-dihydroxypropan-2-ylamino)-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 70856379
(2S,3R,4S,5R)-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,6S)-3-amino-6-[(1R)-1-aminopropyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-5-(hydroxymethyl)oxolan-3-ol
CID 175825400
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 2226
(2S,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3-amino-2-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-(3,4-dihydroxybutyl)-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 158471312
2-[3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-hydroxy-5-(3-hydroxypropyl)cyclohexyl]oxy-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-ol
CID 76806512
(2S)-4-amino-N-[(1R,2S,5S)-5-amino-4-[(2R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,4S,5S)-4-(diaminomethylamino)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
CID 71173337
N-[5-amino-3-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[3-amino-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxypentanamide
CID 91112282

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide (CID 90842168) is 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide is NCC1CCCC(OC2C(N)CC(NC(=O)C(N)CO)C(O)C2OC2OC(CO)C(OC3OC(CN)CCC3N)C2O)O1.
What is the InChIKey of 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide?
The InChIKey is TVMHWABQRLTWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N6O11/c27-7-11-2-1-3-18(38-11)41-21-14(30)6-16(32-24(37)15(31)9-33)19(35)23(21)43-26-20(36)22(17(10-34)40-26)42-25-13(29)5-4-12(8-28)39-25/h11-23,25-26,33-36H,1-10,27-31H2,(H,32,37).
What are the key properties of 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide?
2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide has a molecular weight of 622.72 g/mol, XLogP of -5.24, 12 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-amino-3-[4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-3-hydroxypropanamide is sourced from PubChem (CID 90842168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).