기본 정보
- CAS
528-16-5- 표준 SMILES
O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
AEMOLEFTQBMNLQ-AQKNRBDQSA-N- 분자식
- C6H10O7
- 평균 분자량
- 194.14 g/mol
- 단동위원소 질량
- 194.04265265
이름 및 식별자
- 우선 이름
- D-Glucuronic Acid
- IUPAC
- (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
- 현지명
- D-글루코피라누론산
- 영어명
- D-glucopyranuronic acid
- 분자식
- C6H10O7
- 분자량
- 194.14
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
528-16-5、6556-12-3- PubChem CID
- 94715
- DTXSID
DTXSID50894097- ChEMBL
CHEMBL1159524、CHEMBL1235649、CHEMBL496672- ChEBI
CHEBI:47952- EC Number
- 208-429-7、229-486-4
- Nikkaji
- J182.291H
물성
구조 계산 물성
- XLogP
- -2.3
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 205
실험 및 물리화학적 성질
Collision Cross Section
140 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
150.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)];131.7 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
153.13 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field];134.23 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
물리화학적 성질
- 녹는점
- 267 · 267-269 °C (decomp)
- 끓는 점
- 495.2 · 495.2±45.0 °C(Predicted)
- 밀도
- 1.987 · 1.987±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.87 · 2.87±0.70(Predicted)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 4 reports by companies.;There are 2 notifications provided by 2 of 4 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
규제 정보
안전 데이터
- HS 번호
- 2940000080
화학 및 산업
용도 및 제조
Use Classification
EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Chelating; Humectant; Buffering
공급사14 곳
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