5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol

C10H20N2O7 — CID 53424220

IUPAC5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol
SMILESNCC1OC(OC2COC(O)C2O)C(N)C(O)C1O
InChIInChI=1S/C10H20N2O7/c11-1-3-6(13)8(15)5(12)10(18-3)19-4-2-17-9(16)7(4)14/h3-10,13-16H,1-2,11-12H2
InChIKeySNCUONGHTNCULF-UHFFFAOYSA-N
MW280.28 g/mol
LogP-4.19
Rot. Bonds3

About 5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol

5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol (PubChem CID 53424220) has the molecular formula C10H20N2O7 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol.

Molecular Properties

Compound Name5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol
PubChem CID53424220
Molecular FormulaC10H20N2O7
Molecular Weight280.28 g/mol
Exact Mass280.13
IUPAC Name5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol
SMILESNCC1OC(OC2COC(O)C2O)C(N)C(O)C1O
InChIInChI=1S/C10H20N2O7/c11-1-3-6(13)8(15)5(12)10(18-3)19-4-2-17-9(16)7(4)14/h3-10,13-16H,1-2,11-12H2
InChIKeySNCUONGHTNCULF-UHFFFAOYSA-N
XLogP-4.19
TPSA160.65 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.28
LogP ≤ 5-4.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

(2S,5R)-5-amino-2-(aminomethyl)-6-[(3S,4S,5S)-5-[(2R,5R)-3,5-diamino-2-[(2R,5S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol
CID 70901520
(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(1S,2S,4S,5S)-2,4-diamino-5-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 11702250
(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
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,5S,6R)-5-amino-6-[(3S,5S,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 70799044
(3R,4S)-2-[(1S,2S)-4,6-diamino-3-[(2S,4R,5R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
CID 58283956
(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol;octahydrochloride
CID 53467854
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 25235749
(2R,3R,4S,5R,6R)-5-amino-6-(aminomethyl)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 11420275
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-3,4-diol;sulfuric acid
CID 44558870
(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]oxyoxane-3,4-diol
CID 168793330
(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-[(1R,2R,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexyl]oxyoxane-3,4,5-triol
CID 11216246

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol?
The IUPAC name of 5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol (CID 53424220) is 5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol.
What is the SMILES notation for 5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol?
The canonical SMILES for 5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol is NCC1OC(OC2COC(O)C2O)C(N)C(O)C1O.
What is the InChIKey of 5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol?
The InChIKey is SNCUONGHTNCULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O7/c11-1-3-6(13)8(15)5(12)10(18-3)19-4-2-17-9(16)7(4)14/h3-10,13-16H,1-2,11-12H2.
What are the key properties of 5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol?
5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol has a molecular weight of 280.28 g/mol, XLogP of -4.19, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol is sourced from PubChem (CID 53424220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).