Monomers
N-Acryloyl-D-glucamine
Identifiers
IUPAC name
N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide
InchI
InChI=1S/C9H17NO6/c1-2-7(14)10-3-5(12)8(15)9(16)6(13)4-11/h2,5-6,8-9,11-13,15-16H,1,3-4H2,(H,10,14)/t5-,6+,8+,9+/m0/s1
InchI Key
VOXLHYBRLWBDHW-HIORRCEOSA-N
SMILES
O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)CNC(=O)C=C
Canonical SMILES
C=CC(=O)NCC(C(C(C(CO)O)O)O)O
Isomeric SMILES
C=CC(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H17NO6
Heavy Atom Count
16
Molecular Weight
235.236
Exact Molecular Weight
235.1056
Valence Electrons
94
Radical Electrons
0
tPSA
130.25
MolLogP
-3.2755
H Bond Acceptors
6
H Bond Donors
6
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
33 32 0 0 0 0 0 0 0 0999 V2000
-0.7242 -1.6736 -1.3589 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0053 -1.0451 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2871 0.4103 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6668 0.7038 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7516 0.5957 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0025 1.2384 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4430 0.4834 0.9141 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1057 -0.6601 -1.1973 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0070 0.0286 1.3895 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0155 1.0924 -1.4325 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4618 -1.3263 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3482 -0.7398 0.3643 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7449 -0.9715 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1423 -1.6755 -0.8049 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7325 -0.4327 1.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4411 0.3003 2.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1721 -2.2766 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2642 -1.5565 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4388 0.8434 0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6673 1.8006 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5401 1.1954 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7342 2.2558 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7742 1.2180 -0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3516 -0.4929 0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2328 -0.7718 -2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4751 0.3872 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0529 0.5041 -2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5926 -2.4333 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8038 -1.0255 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0584 -0.1654 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7895 -0.6597 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4437 0.5673 2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2650 0.6682 2.7743 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
5 8 1 0
4 9 1 0
3 10 1 0
2 11 1 0
11 12 1 0
12 13 1 0
13 14 2 0
13 15 1 0
15 16 2 3
1 17 1 0
2 18 1 0
3 19 1 0
4 20 1 0
5 21 1 0
6 22 1 0
6 23 1 0
7 24 1 0
8 25 1 0
9 26 1 0
10 27 1 0
11 28 1 0
11 29 1 0
12 30 1 0
15 31 1 0
16 32 1 0
16 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers