CN(C(=O)SSC(C)(C)C)[C@@H](CSSC(C)(C)C)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O
SMILES: CN(C(=O)SSC(C)(C)C)[C@@H](CSSC(C)(C)C)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O

Molecular Processing

Molecular formula
C32H49N9O15P2S4
Molecular weight
990.01
Exact mass
989.1706
XLogP
3.1
TPSA
338.35
H-bond donors
6
H-bond acceptors
22
Rotatable bonds
17
Heavy atoms
62
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
9
Undefined stereo
1
Formal charge
0
Heteroatoms
30
Covalent units
1
Fraction Csp3
0.656
Molar refractivity
231.3

Supplementary Information

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