2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine

C15H32N10O6 — CID 23645958

IUPAC2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine
SMILESNC(N)=NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N=C(N)N)[C@H](N=C(N)N)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H32N10O6/c16-3-1-4(24-14(19)20)11(10(29)7(3)26)31-12-6(25-15(21)22)9(28)8(27)5(30-12)2-23-13(17)18/h3-12,26-29H,1-2,16H2,(H4,17,18,23)(H4,19,20,24)(H4,21,22,25)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
InChIKeyAXXFTNPLLFKBSI-HKEUSBCWSA-N
MW448.49 g/mol
LogP-7.17
Rot. Bonds6

About 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine

2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine (PubChem CID 23645958) has the molecular formula C15H32N10O6 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine.

Molecular Properties

Compound Name2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine
PubChem CID23645958
Molecular FormulaC15H32N10O6
Molecular Weight448.49 g/mol
Exact Mass448.25
IUPAC Name2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine
SMILESNC(N)=NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N=C(N)N)[C@H](N=C(N)N)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H32N10O6/c16-3-1-4(24-14(19)20)11(10(29)7(3)26)31-12-6(25-15(21)22)9(28)8(27)5(30-12)2-23-13(17)18/h3-12,26-29H,1-2,16H2,(H4,17,18,23)(H4,19,20,24)(H4,21,22,25)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
InChIKeyAXXFTNPLLFKBSI-HKEUSBCWSA-N
XLogP-7.17
TPSA318.60 Ų
H-Bond Donors11
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 5-7.17
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2R,3S,4R,5R,6R)-6-[(1R,2R,3S,4R,6S)-4-amino-6-(diaminomethylideneamino)-2,3-dihydroxycyclohexyl]oxy-5-(diaminomethylideneamino)-3,4-dihydroxyoxan-2-yl]methyl]guanidine
CID 176533797
N-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(diaminomethylideneamino)-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-3-[(2R,3R,4R,5S,6S)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxolan-2-yl]methyl]hexadecanamide
CID 56952029
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
2-[[(2R,5S)-5-[(2R,5R)-3,5-diamino-2-[(2S,5S)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-3,4-dihydroxyoxolan-2-yl]methyl]guanidine
CID 126675042
(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
(Z)-N-[2-[2-[2-[[1-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(diaminomethylideneamino)-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-3-[(2S,3S,4S,5R,6S)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide
CID 132515875
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
(3S,4R,6S)-5-azido-6-[(1R,3R,4R)-4,6-diazido-2,3-dihydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 126675808
2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(diaminomethylideneamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine
CID 162122320
N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3-(diaminomethylideneamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-(diaminomethylideneamino)-1-hydroxycyclopropane-1-carboxamide
CID 77361559
2-[6-[[7-amino-6-[4-amino-2-fluoro-3-hydroxy-6-(methylamino)cyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]guanidine
CID 138726604
N-[(2R,3R,4R,5S,6R)-4-[(2S,3S,4S,5R,6S)-3-(diaminomethylideneamino)-5-hydroxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 156615750

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine?
The IUPAC name of 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine (CID 23645958) is 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine.
What is the SMILES notation for 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine?
The canonical SMILES for 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine is NC(N)=NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N=C(N)N)[C@H](N=C(N)N)[C@@H](O)[C@@H]1O.
What is the InChIKey of 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine?
The InChIKey is AXXFTNPLLFKBSI-HKEUSBCWSA-N. The full InChI is InChI=1S/C15H32N10O6/c16-3-1-4(24-14(19)20)11(10(29)7(3)26)31-12-6(25-15(21)22)9(28)8(27)5(30-12)2-23-13(17)18/h3-12,26-29H,1-2,16H2,(H4,17,18,23)(H4,19,20,24)(H4,21,22,25)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1.
What are the key properties of 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine?
2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine has a molecular weight of 448.49 g/mol, XLogP of -7.17, 6 rotatable bonds, 11 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,3R,4S,5R)-5-amino-2-[(2R,3R,4R,5S,6R)-3-(diaminomethylideneamino)-6-[(diaminomethylideneamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxycyclohexyl]guanidine is sourced from PubChem (CID 23645958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).