(2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol

C20H41N5O7 — CID 73348346

IUPAC(2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
SMILESCNC(C)C1CC[C@H](N)[C@@H](OC2[C@@H](O)[C@@H](O[C@H]3OC[C@H](O)[C@@H](NC)[C@@H]3O)[C@H](N)C[C@@H]2N)O1
InChIInChI=1S/C20H41N5O7/c1-8(24-2)13-5-4-9(21)19(30-13)31-17-10(22)6-11(23)18(16(17)28)32-20-15(27)14(25-3)12(26)7-29-20/h8-20,24-28H,4-7,21-23H2,1-3H3/t8?,9-,10-,11+,12-,13?,14+,15-,16+,17?,18-,19+,20+/m0/s1
InChIKeyOEEYBJFUFKFHDR-LQZXGYCHSA-N
MW463.58 g/mol
LogP-3.72
Rot. Bonds7

About (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol

(2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol (PubChem CID 73348346) has the molecular formula C20H41N5O7 and a molecular weight of 463.58 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
PubChem CID73348346
Molecular FormulaC20H41N5O7
Molecular Weight463.58 g/mol
Exact Mass463.30
IUPAC Name(2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
SMILESCNC(C)C1CC[C@H](N)[C@@H](OC2[C@@H](O)[C@@H](O[C@H]3OC[C@H](O)[C@@H](NC)[C@@H]3O)[C@H](N)C[C@@H]2N)O1
InChIInChI=1S/C20H41N5O7/c1-8(24-2)13-5-4-9(21)19(30-13)31-17-10(22)6-11(23)18(16(17)28)32-20-15(27)14(25-3)12(26)7-29-20/h8-20,24-28H,4-7,21-23H2,1-3H3/t8?,9-,10-,11+,12-,13?,14+,15-,16+,17?,18-,19+,20+/m0/s1
InChIKeyOEEYBJFUFKFHDR-LQZXGYCHSA-N
XLogP-3.72
TPSA199.73 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500463.58
LogP ≤ 5-3.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol with MolForge

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Launch Full Analysis

Related Compounds

2-[4,6-diamino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol
CID 3050355
(2S,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 12899628
(2R,3R)-2-[(1R,2S,3R,4S,6S)-4,6-diamino-3-[(2S,6R)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 174079433
(2R,3R,4R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 71308341
(3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 70816526
(2R,3R)-2-[(1R,2S,3R,4S,6S)-4,6-diamino-3-[(2S,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 168793362
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
CID 44563965
(3R,4S)-2-[(2R,3S,6R)-4,6-diamino-3-[(3R,6S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
CID 53384928
(2R,3R,4R,5R)-2-[(1R,2R,3R,4R,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 139025017
(5R)-2-[(4S,6R)-4,6-diamino-3-[(2R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 174007725
(5R)-2-[4,6-diamino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;(5R)-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;(5R)-2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
CID 146157105
(1S,2S,3R,5S,6S)-3-amino-2-[(2R,3R,6R)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
CID 162879962

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol?
The IUPAC name of (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol (CID 73348346) is (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol is CNC(C)C1CC[C@H](N)[C@@H](OC2[C@@H](O)[C@@H](O[C@H]3OC[C@H](O)[C@@H](NC)[C@@H]3O)[C@H](N)C[C@@H]2N)O1.
What is the InChIKey of (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol?
The InChIKey is OEEYBJFUFKFHDR-LQZXGYCHSA-N. The full InChI is InChI=1S/C20H41N5O7/c1-8(24-2)13-5-4-9(21)19(30-13)31-17-10(22)6-11(23)18(16(17)28)32-20-15(27)14(25-3)12(26)7-29-20/h8-20,24-28H,4-7,21-23H2,1-3H3/t8?,9-,10-,11+,12-,13?,14+,15-,16+,17?,18-,19+,20+/m0/s1.
What are the key properties of (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol?
(2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol has a molecular weight of 463.58 g/mol, XLogP of -3.72, 7 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-[(1S,2R,4S,6R)-4,6-diamino-3-[(2R,3S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol is sourced from PubChem (CID 73348346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).