압시스 산

(+/-)-Abscisic acid

HCID 5375199CAS 14375-45-2

기본 정보

표준 SMILES: CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)=C\C(=O)O
InChIKey: JLIDBLDQVAYHNE-LXGGSRJLSA-N
분자식: C15H20O4
평균 분자량: 264.32 g/mol
단동위원소 질량: 264.13615912

개요

2-cis-abscisic acid is a member of the class of abscisic acids in which the double bond betweeen positions 2 and 3 has cis- (natural) geometry. It has a role as an abscisic acid receptor agonist. It is a conjugate acid of a 2-cis-abscisate.

이름 및 식별자

우선 이름: (+/-)-Abscisic acid
IUPAC: (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
현지명: 압시스 산
영어명: Abscisic acid
분자식: C15H20O4
분자량: 264.32

이름 및 동의어

14375-45-2(+/-)-Abscisic acid(RS)-Abscisic acid( inverted exclamation markA)-Abscisic acidAbscisinsaeureAbszisinsaeureacido abscisicoacide abscissique(+/-)-(cis,Trans)-abscisic acid2-cis-abscisic acidPBI-57(+/-)-Aba

이름 더 보기

2-시스,4-트랜스-Abscisicacid(+/-)-아브시스산ABA(±)-Abscisic acid2-CIS,4-TRANS-ABSCISIC ACIDABSCISIC ACID, (+/-)-Abscisic Acid (synthetic)AbscisinⅡABSCISIC ACIDDL-Abscisic acid

DTXSID1030604MFCD00075619ABSCISIC ACID (cis,trans; +/-)Abscisic acid, (+/-)-(2Z,4E)-3B18Y5RNGKAbscisic acid (+/-)-cis,trans-form [MI]2,4-pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2Z,4E)-(2Z)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid

데이터베이스 식별자

CAS: 14375-45-2、21293-29-8
PubChem CID: 5375199
DTXSID: DTXSID1030604
ChEMBL: CHEMBL288040
ChEBI: CHEBI:22152
UNII: 3B18Y5RNGK
Nikkaji: J2.004.409H

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 494

실험 및 물리화학적 성질

Collision Cross Section176.18 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]

물리화학적 성질

녹는점: 186 · 186-188 °C (lit.)
끓는 점: 458.7 · 458.7±45.0 °C(Predicted)
밀도: 1.193 · 1.193±0.06 g/cm3(Predicted)
인화점: 120 °C · 120°C
저장 조건: 2 · 2-8°C
용해도: 50 mg/mL, · 메탄올: 50mg/mL, 투명하거나 약간 흐릿할 수 있음
산도 계수 (pKa): 4.87 · 4.87±0.33(Predicted)
물리적 상태: Solid
색상: White to off-white
Merck: 14 · 14,11
BRN: 4142666 · 4142666
주요 응용: 농업
InChI: InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-
InChIKey: JLIDBLDQVAYHNE-LXGGSRJLSA-N
SMILES: C(O)(=O)/C=C(/C)\C=C\C1(O)C(C)(C)CC(=O)C=C1C

화학적 성질

white to light yellow crystalline powder

안전 및 규제

유해성 정보

Regulatory Information2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2Z,4E)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
HS 번호: 29189900
safety_code: 24/25
F 고인화성물질: 8-10
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Abscisic acid (ABA) is an isoprenoid plant hormone (phytohormone) synthesized in all parts of plants and involved in many plant developmental processes. ABA is involved in establishing dormancy and regulation of stress responses. ABA inhibits fruit ripening, seed germination, photosynthesis and kinetin biosynthesis.

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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