D-Pyroglutamic acid (HCID 439685)

개요

5-oxo-D-proline is the D-enantiomer of 5-oxoproline. It has a role as a metabolite. It is a 5-oxoproline and a D-proline derivative. It is a conjugate acid of a 5-oxo-D-prolinate. It is an enantiomer of a 5-oxo-L-proline.

이름 및 식별자

우선 이름: D-Pyroglutamic acid
IUPAC: (2R)-5-oxopyrrolidine-2-carboxylic acid
영어명: D-Pyroglutamic acid
분자식: C5H7NO3
분자량: 129.11

이름 및 동의어

D-Pyroglutamic acid4042-36-85-oxo-D-proline(2R)-5-oxopyrrolidine-2-carboxylic acidD-Proline, 5-oxo-D-Pidolic acid(+)-Pyroglutamic acid(+)-Pidolic acidD-5-Pyrrolidone-2-carboxylic acidD-5-OxoprolineEINECS 223-735-0CHEBI:16924

이름 더 보기

H-D-PYR-OHD-pyroglutamateD-PyrogD-PyrogL

DTXSID10193432RefChem:584412DTXCID20115923(2R)-5-oxopyrrolidine-2-carboxylic acid;5-oxo-D-proline223-735-0(R)-5-Oxopyrrolidine-2-carboxylic AcidD-Pyr-OH(R)-(+)-2-Pyrrolidone-5-carboxylic acid

데이터베이스 식별자

CAS: 4042-36-8
PubChem CID: 439685
DTXSID: DTXSID10193432
ChEMBL: CHEMBL1235172
ChEBI: CHEBI:16924
UNII: TQP297C4HN
EC Number: 223-735-0
Nikkaji: J53.019K

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 154

실험 및 물리화학적 성질

CosmeticsPersonal care product

Collision Cross Section124.6 Å² [M-H]-

물리화학적 성질

녹는점: 155 · 155-162 °C
끓는 점: 239.15 °C · 239.15°C (rough estimate)
밀도: 1.3816 · 1.3816 (rough estimate)
굴절률: 10 ° · 10 ° (C=5, H2O)
저장 조건: Sealed in dry,Room Temperature
용해도: 에 용해됨디메틸포름아미드, DMSO (약간 용해됨), 메탄올 (약간 용해됨), 물
물리적 상태: 고체
산도 계수 (pKa): 3.48 · 3.48±0.20(Predicted)
색상: 미색부터 밝은 베이지까지
수용성: 녹는
Merck: 14 · 14,8001
BRN: 82133 · 82133
주요 응용: 펩타이드 합성
InChI: 1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1
InChIKey: ODHCTXKNWHHXJC-GSVOUGTGSA-N
SMILES: OC(=O)[C@H]1CCC(=O)N1

화학적 성질

white to light yellow crystal powder.

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 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationD-Proline, 5-oxo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요D-Pyroglutamic acid, also known as 5-oxo-D-proline, is a metabolite of D-glutamate. It is formed from D-glutamate by D-glutamate cyclase. The levels of D-pyroglutamic acid are increased in the urine of patients with nascent metabolic syndrome and the plasma of patients with end-stage renal disease.

상·하류 제품 정보

상류 원료

하류 제품

L-피로글루탐 산 에틸알코올 (R)-(-)-1-(2-피롤리디닐메틸)피롤리딘 파소라세탐 D-PYROGLUTAMIC ACID TERT-BUTYL ESTER (+)-D-PYROGLUTAMOL P-TOLUENESULFONATE 3-(tert-부틸아미노)프로판-1,2-디올

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

추가 설명

정의ChEBI: D-Pyroglutamic acid is the D-enantiomer of 5-oxoproline. It has a role as a metabolite. It is a D-proline derivative and a 5-oxoproline. It is a conjugate acid of a 5-oxo-D-prolinate. It is an enantiomer of a 5-oxo-L-proline.