[1-[(2-Amino-6-chloro-purin-9-yl)methyl]cyclopropoxy]methylphosphonic acid

HCID 5270772CAS 441785-23-5

기본 정보

표준 SMILES: Nc1nc(Cl)c2ncn(CC3(OCP(=O)(O)O)CC3)c2n1
InChIKey: MHNAKYHTAISYPF-UHFFFAOYSA-N
분자식: C10H13ClN5O4P
평균 분자량: 333.67 g/mol
단동위원소 질량: 333.03936821

이름 및 식별자

우선 이름: [1-[(2-Amino-6-chloro-purin-9-yl)methyl]cyclopropoxy]methylphosphonic acid
IUPAC: [1-[(2-amino-6-chloropurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid

이름 및 동의어

LB80316CHEMBL97237SCHEMBL2912383MHNAKYHTAISYPF-UHFFFAOYSA-NDTXSID401127544[1-[(2-amino-6-chloro-purin-9-yl)methyl]cyclopropoxy]methylphosphonic acid441785-23-5({1-[(2-amino-6-chloro-9H-purin-9-yl)methyl]cyclopropy}oxy)methyl phosphonic acid({1-[(2-amino-6-chloro-9H-purin-9-yl)methyl]cyclopropyl}oxy)methyl Phosphonic Acid[({1-[(2-Amino-6-chloro-9H-purin-9-yl)methyl]cyclopropyl}oxy)methyl]phosphonic acidP-[[[1-[(2-Amino-6-chloro-9H-purin-9-yl)methyl]cyclopropyl]oxy]methyl]phosphonic acidPhosphonic acid, [[[1-[(2-amino-6-chloro-9H-purin-9-yl)methyl]cyclopropyl]oxy]methyl]-

데이터베이스 식별자

CAS: 441785-23-5
PubChem CID: 5270772
DTXSID: DTXSID401127544
ChEMBL: CHEMBL97237

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 136 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 5
무거운 원자 수: 21
형식 전하: 0
복잡도: 447

연결된 노트

불러오는 중…