beta,gamma-Methylene ATP

HCID 91532CAS 3469-78-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O
InChIKey: UFZTZBNSLXELAL-IOSLPCCCSA-N
분자식: C11H18N5O12P3
평균 분자량: 505.21 g/mol
단동위원소 질량: 505.01648091

개요

Adenosine 5'-[beta,gamma-methylene]triphosphate is a nucleoside triphosphate analogue.

이름 및 식별자

우선 이름: beta,gamma-Methylene ATP
IUPAC: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
영어명: adenosine 5'-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acid
분자식: C11H18N5O12P3
분자량: 505.21

이름 및 동의어

AMP-PCP3469-78-1beta,gamma-Methylene ATPAMPPCPadenylyl methylenediphosphateadenylyl methylene diphosphate5'-Adenylyl (beta,gamma-methylene)diphosphonateadenylyl(beta,gamma-methylene)diphosphonateadenosine (beta,gamma-methylene)triphosphateadenosine 5'-beta,gamma-methylenetriphosphate5'-Adenylic acid, monohydride with methylenebis(phosphonic acid)beta-gamma-meATP

이름 더 보기

AMP-P(CH2)PAMP PCP,AMPPCPEinecs 222-435-7β,γ-MethyleneATPβ,γ-Methylene ATPAdenylyl methylenediphosphonate5'-Adenylic acid (phosphonomethyl)phosphonyl esterADENOSINE 5 -MONOPHOSPHATE MONOANHYDRIDE WITH (P...

beta,gamma-Me-ATPL-beta,gamma-MeATPbeta, gamma-methylene-ATPRefChem:553022222-435-7L-betagamma-meATPphosphomethylphosphonic acid adenylate ester[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid

데이터베이스 식별자

CAS: 3469-78-1、7414-56-4
PubChem CID: 91532
DTXSID: DTXSID80956172
ChEMBL: CHEMBL133463
ChEBI: CHEBI:40532
UNII: ML8Y9NHZ7W
EC Number: 222-435-7、621-685-8
Nikkaji: J152.173J

물성

구조 계산 물성

XLogP: -5.9
극성 표면적: 270 Å²
수소 결합 공여자 수: 7
수소 결합 수용자 수: 16
회전 가능 결합 수: 8
무거운 원자 수: 31
형식 전하: 0
복잡도: 800

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 968.2 · 968.2±75.0 °C(Predicted)
밀도: 2.5 · 2.50±0.1 g/cm3(Predicted)
산도 계수 (pKa): 0.68 · 0.68±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

화학 및 산업

공급사8 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海梅凯科技有限公司021-68689288 15300790979 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

BOC Sciences16314854226; +8616314854226 · [email protected]

TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]

연결된 노트

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