Adenosine Monophosphate

식별자 및 물리적 특성

CAS No.	136920-07-5
분자식	C10H14N5O7P
평균 분자량	347.22 g/mol
단동위원소 질량	347.06308442 g/mol
SMILES	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChIKey	UDMBCSSLTHHNCD-KQYNXXCUSA-N
PubChem CID	6083
ChEMBL	CHEMBL752
ChEBI	CHEBI:16027
EC No.	200-500-0
DTXSID	DTXSID5022560

화학 및 물리적 성질

XLogP	-3.5
극성 표면적	186
수소 결합 공여자 수	5
수소 결합 수용자 수	11
회전 가능 결합 수	4
무거운 원자 수	23
형식 전하	0
복잡도	481
의약품	Pharmaceuticals -> Listed in ZINC15
화장품	Cosmetic ingredients (Adenosine Phosphate) -> CIR (Cosmetic Ingredient Review)Skin conditioning
SpringerMaterials Properties	Angular frequency
LogP(분배 계수)	-3.1
Color/Form	CRYSTALS FROM WATER + ACETONEPOWDER, NEEDLES FROM WATER & DIL ALC
용해도	ALMOST INSOL IN COLD H2O /YEAST ADENYLIC ACID MONO-HCL/READILY SOL IN BOILING WATERSOL IN 10% HCLINSOL IN ALCOHOL10 mg/mL at 20 °C
녹는점	196-200 °C195 °C
Optical Rotation	SPECIFIC OPTICAL ROTATION: -26 DEG @ 20 °C/D (C= 2, 10% HCL)& -47.5 DEG @ 20 °C/D (C= 2, 2% NAOH)MAX ABSORPTION (WATER, PH= 1.1): 255 NM (LOG E= 4.16)SPECIFIC OPTICAL ROTATION: -41.78 DEG @ 50 °C/D (WATER)
Physical Description	Solid
Stability/Shelf Life	FREE ACID & ITS SALTS ARE STABLE FOR LONG PERIODS IN DRY STATENEUTRAL SOLN ARE ALSO STABLE
Dissociation Constants	PK1= 3.8PK2= 6.2
Collision Cross Section	167.6 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]167 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine]171.4 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]180.73 Å² [M+Na]+ [CCS Type: DTMethod: stepped-field]Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]174.1 Å² [M-H]-

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 97.7% (127 of 130) of all reports.Not ClassifiedAggregated GHS information provided per 130 reports by companies from 3 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: 5'-Adenylic acidStatus: Active Update: 10-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22636Acetamide, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-, N,N,N',N',N'',N'',N''',N'''-octa-C12-18-alkyl derivs.: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.adenosine 5 monophosphate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
기타 안전 정보	IMAP assessments - 5'-Adenylic acid: Environment tier I assessment
Hazard Classes and Categories	Not Classified
독성 요약	Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Natural Pollution Sources	NUCLEOTIDEWIDELY DISTRIBUTED IN NATURE.
Human Toxicity Excerpts	LOCAL ERYTHEMIA, SLIGHT FLUSHING, DIZZINESS, DIURESIS, & PALPITATION... ESPECIALLY WITH LARGE DOSES OF AQ SOLN. IN TREATMENT OF BURSITIS OR CHRONIC CALCIFIC TENDINITIS /DRUG OFTEN PRODUCES/ EXACERBATION OF SYMPTOMS AFTER 5TH TO 10TH DAY /ADVERSE EFFECT, IM (AS SODIUM SALT)/DIARRHEA, DIZZINESS, & HEADACHE /SUBLINGUAL ADMIN/. ANAPHYLACTIC SHOCK... FOLLOWING USE OF GELATIN SOLN /IM ADMIN AS SODIUM SALT/. DYSPNEA & TIGHTNESS OF CHEST /ADVERSE EFFECT/
Non-Human Toxicity Excerpts	BIOSYNTHESIS OF FATTY ACIDS FROM [1-(14)C]-ACETATE BY CHICKEN LIVER SLICES IN VITRO WAS INHIBITED BY ADENOSINE-5'-MONOPHOSPHATE.