(2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine

C84H184N16O19 — CID 160683994

IUPAC(2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine
SMILESCC(C)O[C@@H]1OC(CN)[C@H](C(C)C)C(O)[C@@H]1N.CC(C)O[C@H]1OC(CN)C(C(C)C)C(O)[C@@H]1N.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@@H]1N.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@@H]1O.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@H]1N.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@H]1O.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(O)[C@H]1N
InChIInChI=1S/2C12H27N3O2.5C12H26N2O3/c2*1-6(2)9-8(5-13)17-12(16-7(3)4)11(15)10(9)14;3*1-6(2)9-8(5-13)17-12(16-7(3)4)10(14)11(9)15;2*1-6(2)9-8(5-13)17-12(16-7(3)4)11(15)10(9)14/h2*6-12H,5,13-15H2,1-4H3;5*6-12,15H,5,13-14H2,1-4H3/t8?,9-,10?,11+,12+;8?,9-,10?,11-,12+;8?,9?,10-,11?,12-;2*8?,9-,10-,11?,12+;8?,9-,10?,11+,12+;8?,9-,10?,11-,12+/m1101011/s1
InChIKeyRONBQKUQMMMTQS-XUPYDBFGSA-N
MW1722.49 g/mol
LogP0.32
Rot. Bonds28

About (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine

(2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine (PubChem CID 160683994) has the molecular formula C84H184N16O19 and a molecular weight of 1722.49 g/mol. Its IUPAC name is (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine.

Molecular Properties

Compound Name(2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine
PubChem CID160683994
Molecular FormulaC84H184N16O19
Molecular Weight1722.49 g/mol
Exact Mass1721.39
IUPAC Name(2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine
SMILESCC(C)O[C@@H]1OC(CN)[C@H](C(C)C)C(O)[C@@H]1N.CC(C)O[C@H]1OC(CN)C(C(C)C)C(O)[C@@H]1N.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@@H]1N.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@@H]1O.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@H]1N.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@H]1O.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(O)[C@H]1N
InChIInChI=1S/2C12H27N3O2.5C12H26N2O3/c2*1-6(2)9-8(5-13)17-12(16-7(3)4)11(15)10(9)14;3*1-6(2)9-8(5-13)17-12(16-7(3)4)10(14)11(9)15;2*1-6(2)9-8(5-13)17-12(16-7(3)4)11(15)10(9)14/h2*6-12H,5,13-15H2,1-4H3;5*6-12,15H,5,13-14H2,1-4H3/t8?,9-,10?,11+,12+;8?,9-,10?,11-,12+;8?,9?,10-,11?,12-;2*8?,9-,10-,11?,12+;8?,9-,10?,11+,12+;8?,9-,10?,11-,12+/m1101011/s1
InChIKeyRONBQKUQMMMTQS-XUPYDBFGSA-N
XLogP0.32
TPSA646.69 Ų
H-Bond Donors21
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.49
LogP ≤ 50.32
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1035

Analyze (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol
CID 70799033
(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol
CID 70799041
(3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol
CID 70809283
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol
CID 140856132
6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
CID 76593810
(2S)-5-amino-2-(aminomethyl)-6-[(2R,5S)-4-hydroxy-2-(hydroxymethyl)-5-propan-2-yloxolan-3-yl]oxyoxane-3,4-diol
CID 174021220
5-amino-2-(aminomethyl)-6-(3,5-diamino-6,6-dihydroxyhexan-2-yl)oxyoxane-3,4-diol
CID 142836643
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038
6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol
CID 159693212

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine?
The IUPAC name of (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine (CID 160683994) is (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine.
What is the SMILES notation for (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine?
The canonical SMILES for (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine is CC(C)O[C@@H]1OC(CN)[C@H](C(C)C)C(O)[C@@H]1N.CC(C)O[C@H]1OC(CN)C(C(C)C)C(O)[C@@H]1N.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@@H]1N.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@@H]1O.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@H]1N.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(N)[C@H]1O.CC(C)O[C@H]1OC(CN)[C@@H](C(C)C)C(O)[C@H]1N.
What is the InChIKey of (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine?
The InChIKey is RONBQKUQMMMTQS-XUPYDBFGSA-N. The full InChI is InChI=1S/2C12H27N3O2.5C12H26N2O3/c2*1-6(2)9-8(5-13)17-12(16-7(3)4)11(15)10(9)14;3*1-6(2)9-8(5-13)17-12(16-7(3)4)10(14)11(9)15;2*1-6(2)9-8(5-13)17-12(16-7(3)4)11(15)10(9)14/h2*6-12H,5,13-15H2,1-4H3;5*6-12,15H,5,13-14H2,1-4H3/t8?,9-,10?,11+,12+;8?,9-,10?,11-,12+;8?,9?,10-,11?,12-;2*8?,9-,10-,11?,12+;8?,9-,10?,11+,12+;8?,9-,10?,11-,12+/m1101011/s1.
What are the key properties of (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine?
(2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine has a molecular weight of 1722.49 g/mol, XLogP of 0.32, 28 rotatable bonds, 21 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine is sourced from PubChem (CID 160683994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).