기본 정보
- CAS
96-82-2- 표준 SMILES
O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO- InChIKey
JYTUSYBCFIZPBE-AMTLMPIISA-N- 분자식
- C12H22O12
- 평균 분자량
- 358.3 g/mol
- 단동위원소 질량
- 358.11112613
이름 및 식별자
- 우선 이름
- Lactobionic Acid
- IUPAC
- (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
- 현지명
- 락토비온 산
- 영어명
- Lactobionic acid
- 분자식
- C12H22O12
- 분자량
- 358.3
이름 및 동의어
LACTOBIONIC ACID96-82-24-O-beta-D-Galactopyranosyl-D-gluconic acidDTXSID30488614-(beta-D-Galactosido)-D-gluconic acid65R938S4DVDTXCID6028787CHEBI:55481RefChem:798371GlyTouCan:G18874TBG18874TBD-GLUCONIC ACID, 4-O-BETA-D-GALACTOPYRANOSYL-
이름 더 보기
락토비온산락토비온산락토바이오닉애씨드LACTOBIONIC ACID POWDERLactose acidLactobionateLactobionSactobionic acidLaCLobionic AcidLACTOBIONIC ACID 97%
202-538-3MFCD00078147(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acidD-Gluconic acid, 4-O-b-D-galactopyranosyl-C12H22O12D-Gluconic acid, 4-O-.beta.-D-galactopyranosyl-(2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanoic acid(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid
데이터베이스 식별자
- CAS
96-82-2- PubChem CID
- 7314
- DTXSID
DTXSID3048861- ChEMBL
CHEMBL3039602- ChEBI
CHEBI:55481- UNII
- 65R938S4DV
- EC Number
- 202-538-3
- Nikkaji
- J4.724D
물성
구조 계산 물성
- XLogP
- -5
- 극성 표면적
- 218 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 405
실험 및 물리화학적 성질
Collision Cross Section168.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 113 · 113-118 °C(lit.)
- 끓는 점
- 410.75 °C · 410.75°C (rough estimate)
- 밀도
- 1.4662 · 1.4662 (rough estimate)
- 굴절률
- 26 ° · 26 ° (C=8.8, H2O)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 10 g/100mL · 10g/100mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 3.28 · 3.28±0.35(Predicted)
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- synthetic
- 수용성
- 10 g/100mL · 10g/100mL
- Merck
- 5342 · 5342
- BRN
- 95054 · 95054
- 화장품 원료 기능
- 버퍼링
- InChI
- 1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1
- InChIKey
- JYTUSYBCFIZPBE-AMTLMPIISA-N
- SMILES
- OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O
- LogP
- -3.848 · -3.848 (est)
화학적 성질
White to off-white crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 92.3% (24 of 26) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 24 of 26 companies (only 7.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 26 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 24 of 26 reports by companies.；There are 2 notifications provided by 2 of 26 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
Regulatory InformationD-Gluconic acid, 4-O-.beta.-D-galactopyranosyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory InformationD-Gluconic acid, 4-O-.beta.-D-galactopyranosyl-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 1
- HS 번호
- 29400000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 기존화학 물질
- KE-17413
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >25；Consumption (g per capita; approx.) in Germany (2009): 0.000305；Calculated removal (%): 92.1
응용 분야
용도Lactobionic acid is mainly used in preservation solutions for organ transplantation. It is used to produce erythromycine lactobionate.
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추가 설명
정의ChEBI: A disaccharide formed between beta-D-galactose and D-gluconic acid.
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