2-Iodoadenosine

HCID 169662

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 35109-88-7
표준 SMILES: Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey: MGEBVSZZNFOIRB-UUOKFMHZSA-N
분자식: C10H12IN5O4
평균 분자량: 393.14 g/mol
단동위원소 질량: 392.99340186

개요

structure given in first source

이름 및 식별자

우선 이름: 2-Iodoadenosine
IUPAC: (2R,3R,4S,5R)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
영어명: 2-IODOADENOSINE
분자식: C10H12IN5O4
분자량: 393.14

이름 및 동의어

2-Iodoadenosine35109-88-7Adenosine, 2-iodo-DTXSID70188607RefChem:473763DTXCID901110982-Iodo AdenosineMFCD01320413(2R,3R,4S,5R)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolC10H12IN5O42-Iodoadenosine, 97%SCHEMBL259445

이름 더 보기

2-Iodoadenosine>2-Iodo-D-adenosine2-IODOADENOSINE USP/EP/BP2-Iodo Adenosine35109-88-7(4S,2R,3R,5R)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(6-amino-2-iodo-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolAKOS015853969F12897(2R,3R,4S,5R)-2-(6-amino-2-iodo-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol2-Iodo-guanosineAMY310272-Iodo-D-adenosine6-Amino-2-iodo-9-(beta-D-ribofuranosyl)purine

데이터베이스 식별자

CAS: 35109-88-7
PubChem CID: 169662
DTXSID: DTXSID70188607
ChEMBL: CHEMBL2113519
EC Number: 623-798-8
Nikkaji: J1.718.523C

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 140 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 2
무거운 원자 수: 20
형식 전하: 0
복잡도: 367

물리화학적 성질

녹는점: 200 °C · 200 °C (dec.)
끓는 점: 776.3 · 776.3±70.0 °C(Predicted)
밀도: 2.69 · 2.69±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO, 메탄올, 물에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 13.05 · 13.05±0.70(Predicted)
색상: 황백색에서 연한 노란색
InChI: 1S/C10H12IN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey: MGEBVSZZNFOIRB-UUOKFMHZSA-N
SMILES: Nc1nc(I)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

화학적 성질

Off-White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.