식별자 및 물리적 특성
| CAS No. | 10485-94-6 |
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| 분자식 | C6H12O5 |
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| 평균 분자량 | 164.16 g/mol |
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| 단동위원소 질량 | 164.06847348 g/mol |
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| SMILES | C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O |
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| InChIKey | SHZGCJCMOBCMKK-JFNONXLTSA-N |
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| PubChem CID | 25310 |
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| ChEMBL | CHEMBL5308434 |
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| ChEBI | CHEBI:62346 |
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| EC No. | 222-793-4 |
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| DTXSID | DTXSID801019197 |
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| 현지명 | 람노스 |
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화학 및 물리적 성질
| XLogP | -2.1 |
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| 극성 표면적 | 90.2 |
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| 수소 결합 공여자 수 | 4 |
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| 수소 결합 수용자 수 | 5 |
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| 회전 가능 결합 수 | 0 |
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| 무거운 원자 수 | 11 |
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| 형식 전하 | 0 |
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| 복잡도 | 139 |
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| 화장품 | Cosmetic ingredients (Rhamnose) -> CIR (Cosmetic Ingredient Review)Humectant |
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| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 끓는 점 | 398.00 to 399.00 °C. @ 760.00 mm Hg399.1±35.0 °C(Predicted) |
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| 녹는점 | 122 °C |
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| Physical Description | CBISolid |
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| Collision Cross Section | 142.6 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]146.3 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field] |
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| 밀도 | 1.410±0.06 g/cm3(Predicted) |
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| pKa(산도 계수) | 12.50±0.20(Predicted) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (134 of 134) of all reports.Not ClassifiedAggregated GHS information provided per 134 reports by companies from 1 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Chemical: L-Mannose, 6-deoxy-L-Mannose, 6-deoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of L-Mannose, 6-deoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 6-deoxy-L-mannose (EC: 222-793-4)L-Mannose, 6-deoxy-: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - L-Mannose, 6-deoxy-: Environment tier I assessment |
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| Hazard Classes and Categories | Not Classified |
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| 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 |
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