$C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12$

名称: 25-hydroxycholecalciferol

SMILES: C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12

Molecular Processing

Molecular formula

C27H44O2

Molecular weight

400.65

Exact mass

400.3341

XLogP

6.73

TPSA

40.46

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.778

Molar refractivity

122.65

Supplementary Information

No supplementary data available