Basic information
- CAS
25406-64-8- Standard SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](O)C[C@H]12- InChIKey
YTZSBJLNMIQROD-SFBCHFHNSA-N- Molecular formula
- C17H26O11
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.14751164
Overview
Morroniside is a glycoside.
Names & identifiers
- Preferred name
- Morroniside
- IUPAC
- methyl (1S,3R,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
- English name
- Morroniside
- Molecular formula
- C17H26O11
- Molecular weight
- 406.38
Names & synonyms
Morroniside25406-64-8methyl (1S,3R,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylatemethyl (1S,3R,4aS,8S,8aS)-3-hydroxy-1-methyl-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,3,4,4a,8,8a-hexahydropyrano(3,4-c)pyran-5-carboxylateRefChem:926149CHEBI:80852DTXSID60948257HY-N0532CCG-268714C17000Methyl (1S,3R,4aS,8S,8aS)-3-hydroxy-1-methyl-8-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-5-carboxylateMethyl 8-(hexopyranosyloxy)-3-hydroxy-1-methyl-4,4a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-5-carboxylate
Show more names
molosideMorronisidb-MorronisideMorroniside-RMMorroniside - Bio-X ?Morroniside Impurity 2Morroniside (Standard)Morroniside, 98%, from Cornus officinalis Sieb. et Zucc.
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 596
Physicochemical properties
- Melting point
- 133 · 133 - 140°C
- Boiling point
- 635.6 · 635.6±55.0 °C(Predicted)
- Density
- 1.52 · 1.52
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 12.54 · 12.54±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- InChIKey
- YTZSBJLNMIQROD-YRYPJNNANA-N
- SMILES
- [C@@]12([H])[C@H](C)OC(O)C[C@]1([H])C(C(=O)OC)=CO[C@H]2O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O |&1:0,2,8,17,19,20,22,23,25,r|
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- HS Code
- 29389090 · 29389090
- Storage Class
- 11 · 11 - Combustible Solids
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
- WGK 3
- hs_code
- 29389090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesMorroniside is a pharmaceutical agent improving microvascular functional integrity and vascular elements of the neurovascular unit in the treatment of cerebral ischemia.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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