ADE
- Molecular formula
- C5 H5 N5
- Molecular weight (g/mol)
- 135.13
- Classification
- NATURAL_PRODUCT
Related PDB structures · 2
Names & identifiers
- IUPAC name
- ADENINE
- SMILES
- c1[nH]c2c(n1)c(ncn2)N
- Isomeric SMILES
- c1[nH]c2c(n1)c(ncn2)N
- InChI
- InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
- InChIKey
- GFFGJBXGBJISGV-UHFFFAOYSA-N
- CAS
- 73-24-5
Chemical & physical properties
- HBA
- 4
- HBD
- 2
- TPSA (Ų)
- 80.48
- cLogP
- -0.06
- Chiral atoms
- 0
- Molar refractivity
- 36.1
- Rings
- 2
- Aromatic rings
- 2
- Fraction Csp³
- 0.0
- Formal charge
- 0
Calculated properties
QED0.53
NPScore-0.109113846
SAScore6.326549273
Related databases
ChEMBL · CHEMBL226345 PubChem · 190 ChEBI · CHEBI:16708 DrugBank · DB00173 (approved, nutraceutical, investigational)
- Brand names
- IMUFLEX WB-SP Blood Bag System with Integral Whole Blood Leukocyte Reduction Filter (Saving Platelets) with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) and OPTISOL (AS-5) Red Cell Preservative for collection of 500mL of Blood, TERUFLEX Blood Bag System with Diversion Blood Sampling Arm Anticoagulant CPD with OPTISOL Red Cell Preservative Solution for Collection of 500mL of Blood, Additive Solution Sodium Adenine Glucose Mannitol (sagm), Cpda-1, TERUFLEX Blood with Diversion Blood Sampling Arm Anticoagulant CPD with OPTISOL Red Cell Preservative for Collection of 450mL of Blood, Cpd Adenine Cpda 1, CPD/ADSOL Red Cell Preservation Solution System (PL 2209), As 3, Nutricel Additive Solution - AS-3, MTL1 Leucoflex, As-3, Leukotrap, Sag-M, ADSOL Red Cell Preservation Solution System in Plastic Container (PL 146 Plastic), Adsol Red Cell Preservation, Additive Solution Formula 3 As-3, TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1), TERUFLEX BLOOD with Diversion Blood Sampling Arm 70 mL CPDA-1, Anticoagulant Cit Phos Dex Adenine Sol USP, TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL Red Cell Preservative, CPDA-1 Blood Collection System, Leukotrap WB System, Leukotrap - AS-3 Solution, Reveos Select CPD with AS-5 Red Cell Preservative Solution For Collection Of 500ml Of Blood, Sag-mannitol Solution, Additive Formula 3, Haemonetics Additive Solution Formula 3 (AS-3), Leucoflex CGP, Leukotrap WB System - AS3, Teruflex Blood Bag System With Diversion Blood Sampling Arm 70 Ml Cpda-1, IMUFLEX WB-SP Blood Bag System with Integral Whole Blood Leukocyte Reduction Filter (Saving Platelets) with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) and OPTISOL (AS-5) Red Cell Preservative, Rejuvesol, IMUFLEX WB-RP Blood Bag System with Integral Whole Blood Leukocyte Reduction Filter (Removing Platelets) with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative, TERUFLEX Blood Bag System with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative, TERUFLEX Blood Anticoagulant Citrate Phosphate Dextrose Adenine (CPDA-1) for Collection of 450mL of Blood, TERUFLEX Blood Bag System with Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative, Leukotrap - AS-3, Cpd/adsol