593252-73-4
C₁₀H₁₈N₄O₆·290.270 g/mol·CID 97182181
IUPAC: N-[(2S,3R,4R,5S,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also known as: (2-Azidoethyl)-2-acetamido-alpha-D-glucopyranoside, MFCD24386359, N-[(2S,3R,4R,5S,6R)-2-(2-AZIDOETHOXY)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]ACETAMIDE, N-((2S,3R,4R,5S,6R)-2-(2-Azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
290.270g/mol
Exact Mass
290.122634Da
Monoisotopic Mass
290.122634Da
XLogP
-1.1
Polar Surface Area
123.0Ų
Complexity
375
Formal Charge
0
H-Bond Donors
4
H-Bond Acceptors
8
Rotatable Bonds
6
Heavy Atoms
20
Stereo Centers
5
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 290.3 g/mol
MW ≤ 500
✓ -1.1
LogP ≤ 5
✓ 4
H-bond donors ≤ 5
✓ 8
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10+/m1/s1
Isomers8 compounds with formula C₁₀H₁₈N₄O₆
(2S)-2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid
CID 16950 · 290.3 g/mol
2-[[N'-(4-amino-4-carboxybutyl)carbamimidoyl]amino]butanedioic acid
CID 828 · 290.3 g/mol
(2S)-2-[[amino-[[(4S)-4-amino-4-carboxybutyl]amino]methylidene]amino]butanedioic acid
CID 136664755 · 290.3 g/mol
2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid
CID 439998 · 290.3 g/mol
(2R)-2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid
CID 448718 · 290.3 g/mol
N-[(2R,3R,4R,5S,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11608979 · 290.3 g/mol
2-[(3-carboxy-2-hydroxypropanoyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 86095561 · 290.3 g/mol
2-[2-(1-carboxyethylcarbamoylamino)ethylcarbamoylamino]propanoic acid
CID 3774706 · 290.3 g/mol