Basic information
- CAS
610763-72-9- Standard SMILES
COC(=O)C1(OC2C(O)C(COCc3ccccc3)OC(Oc3ccc(OC)cc3)C2OCc2ccccc2)CC(OC(C)=O)C(NC(=O)OCC(Cl)(Cl)Cl)C([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1- InChIKey
HNINFVMNWIPTPG-IJDKSFGZSA-N- Molecular formula
- C48H56Cl3NO20
- Average molar mass
- 1,073.3 g/mol
- Monoisotopic mass
- 1,071.246126
Names & identifiers
- Preferred name
- 4-Methoxyphenyl 2,6-di-O-benzyl-3-O-(4,7,8,9-tetra-O-acetyl-3,5-dideoxy-1-methyl-5-(((2,2,2-trichloroethoxy)carbonyl)amino)-D-erythro-non-2-ulopyranonosyl)hexopyranoside
- IUPAC
- methyl 4-acetyloxy-2-[5-hydroxy-2-(4-methoxyphenoxy)-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-5-(2,2,2-trichloroethoxycarbonylamino)oxane-2-carboxylate
- English name
- Neu5Troc[1Me,4789Ac]alpha(2-3)Gal[26Bn]-beta-MP
- Molecular formula
- C48H56Cl3NO20
- Molecular weight
- 1073.31
Names & synonyms
610763-72-9DTXSID707199554-Methoxyphenyl 2,6-di-O-benzyl-3-O-(4,7,8,9-tetra-O-acetyl-3,5-dideoxy-1-methyl-5-(((2,2,2-trichloroethoxy)carbonyl)amino)-D-erythro-non-2-ulopyranonosyl)hexopyranoside4-Methoxyphenyl 2,6-di-O-benzyl-3-O-(4,7,8,9-tetra-O-acetyl-3,5-dideoxy-1-methyl-5-{[(2,2,2-trichloroethoxy)carbonyl]amino}-D-erythro-non-2-ulopyranonosyl)hexopyranosideRefChem:1071043DTXCID80670700Methyl 4-acetyloxy-2-[5-hydroxy-2-(4-methoxyphenoxy)-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-5-(2,2,2-trichloroethoxycarbonylamino)oxane-2-carboxylateNeu5Troc[1Me,4789Ac]alpha(2-3)Gal[26Bn]-beta-MPMFCD22124723SY055908M1729(2-3)Gal[26Bn]-βNeu5Troc[1Me,4789Ac]αNeu5Troc[1Me,4789Ac]α(2-3)Gal[26Bn]-β-MP
Show more names
Neu5Troc[1Me,4789Ac]α(2-3)Gal[26Bn]-β-MP>Neu5Troc[1Me,4789Ac]alpha(2-3)Gal[26Bn]-beta-MPβ-D-Galactopyranoside, 4-methoxyphenyl 2,6-bis-O-(phenylmethyl)-3-O-[4,7,8,9-tetra-O-acetyl-1-methyl-N-[(2,2,2-trichloroethoxy)carbonyl]-α-neuraminosyl]-
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 28
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,760
Physicochemical properties
- Melting point
- 162 · 162-164 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 971.6 · 971.6±65.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 9.2 · 9.20±0.70(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- HS Code
- 2940 · 2940.00.6000
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
- hs_code
- 2940.00.6000
Chemistry & industry
Applications
UsesNeu5Troc[1Me,4789Ac]α(2-3)Gal[26Bn]-β-MP is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Suppliers13 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
BOC Sciences16314854226 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Related reactions
0 records
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Compound notes
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