11341443
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8.8528
5.6746
5.8936
8.8004
2.4067
3.989
10.0079
11.5634
10.2132
11.3413
3.808
6.4112
4.6172
3.7037
6.1524
3.8082
7.8571
8.6342
8.2758
7.9094
3.4013
9.6604
8.9188
8.9051
10.3221
9.9488
9.8514
7.8541
8.9574
9.9037
7.9065
2
10.5752
10.9938
12.1898
12.3271
5.3937
2.9272
3.7059
3.1885
8.4235
7.294
7.7281
6.332
8.69
10.9341
9.8838
10.4705
9.8189
7.8217
7.235
7.8866
8.3383
8.9899
9.5766
7.874
7.2873
7.9389
9.9362
10.5229
9.8713
1.4336
1.7478
2.5664
11.6037
10.9901
12.6731
12.5781
11.7064
12.2231
12.9383
12.4312
-2.1966
3.2478
0.3334
-1.1979
-1.5502
-2.2546
-0.2325
3.109
4.1938
-1.338
-0.5321
2.2652
0.0562
0.4629
1.2993
1.4574
0.2547
0.884
1.8176
-0.744
-1.4456
0.7052
2.6371
-3.1952
1.5096
2.4821
-2.1442
-2.2489
-4.1938
-3.1429
-3.2475
-2.4637
3.2616
-0.4003
3.8886
-1.5058
-0.2896
0.8086
2.0689
1.4385
0.0025
-0.6684
-1.3369
-0.105
3.2133
1.4103
-2.7634
-2.1118
-1.5251
-1.6298
-2.2814
-2.8681
-4.2263
-4.813
-4.1614
-2.6284
-3.28
-3.8667
-3.762
-3.1104
-2.5237
-2.2115
-3.0301
-2.7159
-0.289
0.2197
3.5003
4.3719
4.2769
-2.117
-1.6099
-0.8946
6
6
6
6
8
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8
8
8
8
13
14
15
17
18
18
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23
25
37
38
3
20
19
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23
25
26
26
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
852
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
10
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
10
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F07B3C080000000000000000000016000000000000003C5880000580160000B10000001E10040840000D2CE1B80772CE83100601880224D258008208002522002088010E6CC81E6632C4F59BB4712867C619DCE987FED8F38EC0000142000A00008000028400140000000000000000
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C24H36N2O9Si/c1-23(2,3)36(7,8)34-12-15-19-16(9-14(21(27)31-5)10-18(19)33-13-30-4)25-11-17-20(24(15,29)35-25)26(17)22(28)32-6/h9-10,15,17,20,29H,11-13H2,1-8H3/t15-,17-,20-,24-,26?/m0/s1
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
DXLQHFIXSGAYHB-BHGAJFDVSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
524.219007
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C24H36N2O9Si
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
524.63614
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(C)(C)[Si](C)(C)OCC1C2=C(C=C(C=C2OCOC)C(=O)OC)N3CC4C(C1(O3)O)N4C(=O)OC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(C)(C)[Si](C)(C)OC[C@H]1C2=C(C=C(C=C2OCOC)C(=O)OC)N3C[C@H]4[C@@H]([C@]1(O3)O)N4C(=O)OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
116
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
524.219007
36
4
4
0
0
0
0
0
1
3