아데노신5'-(삼수소이염산염),2'-(인산수소나트륨),P',5'-ESTERWITH3-(AMINOTHIOXOMETHYL)-1-BETA-D-RIBOFURANOSYLPYLPYRIDIUM내염
(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
기본 정보
- CAS
19254-05-8- 표준 SMILES
NC(=S)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2[O-])c1- InChIKey
NYRJSROCIMIKPS-NNYOXOHSSA-N- 분자식
- C21H28N7O16P3S
- 평균 분자량
- 759.5 g/mol
- 단동위원소 질량
- 759.05261
이름 및 식별자
- 우선 이름
- (2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
- IUPAC
- (2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
- 현지명
- 아데노신5'-(삼수소이염산염),2'-(인산수소나트륨),P',5'-ESTERWITH3-(AMINOTHIOXOMETHYL)-1-BETA-D-RIBOFURANOSYLPYLPYRIDIUM내염
- 영어명
- Adenosine 5'-(trihydrogen diphosate), 2'-(sodium hydrogen phosphate), p',5'-ester with 3-(aminothioxomethyl)-1-beta-D-ribofuranosylpyridium inner salt
- 분자식
- C21H28N7O16P3S
- 분자량
- 759.47
이름 및 동의어
(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olateAdenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-(aminothioxomethyl)-1-beta-D-ribofuranosylpyridinium inner saltADENOSINE 5/'-(TRIHYDROGEN DIPHOSATE), 2/'-(SODIUM HYDROGEN PHOSPHATE), P/',5/'-ESTER WITH 3-(AMINOTSCHEMBL28538512SCHEMBL29361913NYRJSROCIMIKPS-NNYOXOHSSA-N아데노신5'-(삼수소이염산염),2'-(인산수소나트륨),P',5'-ESTERWITH3-(AMINOTHIOXOMETHYL)-1-BETA-D-RIBOFURANOSYLPYLPYRIDIUM내염S-NADPThio-NADP+THIO-NADP SODIUMThionicotinamide TPNTHIONICOTINAMID-TPN SODIUM SALT
이름 더 보기
THIONICOTINAMIDE-TPN SODIUM SALTTriphosphothiopyridine nucleotide sodium salt
물성
구조 계산 물성
- XLogP
- -5.3
- 극성 표면적
- 383 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,310
물리화학적 성질
- 저장 조건
- 20 °C · −20°C
- 용해도
- 2 O: · H2O: 50 mg/mL, 투명, 노란색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- F 고인화성물질
- 3-10
화학 및 산업
공급사4 곳
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