(2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol

C18H38N6O8 — CID 10928740

IUPAC(2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol
SMILESN[C@@H]1[C@H](O)[C@@H](N)[C@@H](O[C@@H]2C[C@H](O[C@H]3O[C@H](CO)[C@H](N)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)O[C@@H]1CO
InChIInChI=1S/C18H38N6O8/c19-5-1-6(20)8(30-18-14(24)16(28)12(22)10(4-26)32-18)2-7(5)29-17-13(23)15(27)11(21)9(3-25)31-17/h5-18,25-28H,1-4,19-24H2/t5-,6+,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17+,18+/m1/s1
InChIKeyVDZIXPNIHBFAEW-IOHZYNIBSA-N
MW466.54 g/mol
LogP-6.33
Rot. Bonds6

About (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol

(2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol (PubChem CID 10928740) has the molecular formula C18H38N6O8 and a molecular weight of 466.54 g/mol. Its IUPAC name is (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol
PubChem CID10928740
Molecular FormulaC18H38N6O8
Molecular Weight466.54 g/mol
Exact Mass466.28
IUPAC Name(2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol
SMILESN[C@@H]1[C@H](O)[C@@H](N)[C@@H](O[C@@H]2C[C@H](O[C@H]3O[C@H](CO)[C@H](N)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)O[C@@H]1CO
InChIInChI=1S/C18H38N6O8/c19-5-1-6(20)8(30-18-14(24)16(28)12(22)10(4-26)32-18)2-7(5)29-17-13(23)15(27)11(21)9(3-25)31-17/h5-18,25-28H,1-4,19-24H2/t5-,6+,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17+,18+/m1/s1
InChIKeyVDZIXPNIHBFAEW-IOHZYNIBSA-N
XLogP-6.33
TPSA273.96 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500466.54
LogP ≤ 5-6.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol with MolForge

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Related Compounds

(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
4-amino-2-[2,4-diamino-5-[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 123927656
(3S,6S)-5-amino-6-[(1R,4R)-4,6-diamino-3-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 118213734
(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
(2S,3R,4S,5S,6S)-5-amino-6-[(1S,2S)-2-aminocyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 11630485
(3S,5S,6S)-5-amino-6-[(1R,3R)-4,6-diamino-2-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 118563853
(6R)-5-amino-2-(aminomethyl)-6-[(2R,5S)-5-[(6R)-3,5-diamino-2,6-dihydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 70863978
acetic acid;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4S,5S,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 25104844
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67874943
(3S,6R)-5-amino-2-(aminomethyl)-6-[(1R,4R)-4,6-diamino-2-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 142450601
(2R,6R)-5-amino-2-(aminomethyl)-6-[(4R,6S)-4,6-diamino-3-[(2S,4S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 118518941
(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-6-amino-2,3-dihydroxy-4-methylcyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 167615692

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol (CID 10928740) is (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol is N[C@@H]1[C@H](O)[C@@H](N)[C@@H](O[C@@H]2C[C@H](O[C@H]3O[C@H](CO)[C@H](N)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)O[C@@H]1CO.
What is the InChIKey of (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is VDZIXPNIHBFAEW-IOHZYNIBSA-N. The full InChI is InChI=1S/C18H38N6O8/c19-5-1-6(20)8(30-18-14(24)16(28)12(22)10(4-26)32-18)2-7(5)29-17-13(23)15(27)11(21)9(3-25)31-17/h5-18,25-28H,1-4,19-24H2/t5-,6+,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17+,18+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol?
(2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 466.54 g/mol, XLogP of -6.33, 6 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6S)-3,5-diamino-2-[(1S,2S,4R,5R)-2,4-diamino-5-[(2S,3R,4S,5R,6S)-3,5-diamino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 10928740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).