Basic information
- CAS
3615-17-6- Standard SMILES
CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
MBLBDJOUHNCFQT-WCTZXXKLSA-N- Molecular formula
- C8H15NO6
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.0899372
Overview
Aldehydo-N-acetyl-D-mannosamine is an N-acetylmannosamine in open-chain aldehyde form with D-configuration. It has a role as a human metabolite.
Names & identifiers
- Preferred name
- N-((2S,3R,4S,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl)acetamide
- IUPAC
- N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
- English name
- 2-Acetamido-2-deoxy-D-mannopyranose
- Molecular formula
- C8H15NO6
- Molecular weight
- 221.21
Names & synonyms
N-((2S,3R,4S,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl)acetamide2-(Acetylamino)-2-Deoxy-D-Mannoserel-N-Acetyl-D-mannosamineMannose, 2-(acetylamino)-2-deoxy-N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamideMN9Mannosamine, N-acetyl-UNII-X80PR7P73RSCHEMBL140289CHEMBL4297539Mannose, 2-acetamido-2-deoxy-DTXSID90963918
Show more names
MANNACN-ACETYL-BETA-D-MANNOSAMINEN-ACETYL MANNOSAMINEN-Acetyl-β-D-ΜannosamineACETYL-D-MANNOSAMINE, N-N-ACETYL-D-MANNOSAMINIDEACETYL-D-MANNOSAMINE, N-(RG)2-ACETAMIDO-2-DEOXY-D-MANNOSEN-Acetyl-β-D-Μannosamine Hydrate
MBLBDJOUHNCFQT-WCTZXXKLSA-NEINECS 222-790-8AKOS016012221DB12536YA180993AI3-51900HY-128850CS-0100922
Database identifiers
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 636.4 · 636.4±55.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 13.04 · 13.04±0.20(Predicted)
- CAS DataBase Reference
- 4773 · 4773-29-9(CAS DataBase Reference)
- FDA UNII
- 80 PR7P73R · X80PR7P73R
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hazard_note
- Irritant
Chemistry & industry
Suppliers12 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
湖南汇百益新材料有限公司0745-2866551 19976851779 · [email protected]
Wuhan Fortuna Chemical Co., Ltd+86-27-59207850 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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