BTB
- Molecular formula
- C8 H19 N O5
- Molecular weight (g/mol)
- 209.24
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
- SMILES
- C(CO)N(CCO)C(CO)(CO)CO
- Isomeric SMILES
- C(CO)N(CCO)C(CO)(CO)CO
- InChI
- InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
- InChIKey
- OWMVSZAMULFTJU-UHFFFAOYSA-N
- CAS
- 6976-37-0
Chemical & physical properties
- HBA
- 6
- HBD
- 5
- TPSA (Ų)
- 104.39
- cLogP
- -3.01
- Chiral atoms
- 0
- Molar refractivity
- 49.73
- Rings
- 0
- Aromatic rings
- 0
- Fraction Csp³
- 1.0
- Formal charge
- 0
Calculated properties
QED0.292
NPScore-0.064621743
SAScore5.945433268