Basic information
- CAS
52134-33-5- Standard SMILES
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)[C@H](O)CO- InChIKey
POROYQINIQHUGJ-QTMBQZBXSA-N- Molecular formula
- C26H45NO21
- Average molar mass
- 707.6 g/mol
- Monoisotopic mass
- 707.24840744
Names & identifiers
- Preferred name
- O-I+/--D-Mannopyranosyl-(1a2)-O-I+/--D-mannopyranosyl-(1a3)-O-I(2)-D-mannopyranosyl-(1a4)-2-(acetylamino)-2-deoxy-D-glucose
- IUPAC
- N-[(2R,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide
- English name
- a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp
- Molecular formula
- C26H45NO21
- Molecular weight
- 707.63
Names & synonyms
DTXSID30110711352134-33-5O-I+/--D-Mannopyranosyl-(1a2)-O-I+/--D-mannopyranosyl-(1a3)-O-I(2)-D-mannopyranosyl-(1a4)-2-(acetylamino)-2-deoxy-D-glucoseMan-3-GlcNAca-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcpD-Glucose, O-α-D-mannopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→3)-O-β-D-mannopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-
Database identifiers
- CAS
52134-33-5- PubChem CID
- 165367285
- DTXSID
DTXSID301107113
Properties
Computed structural properties
- XLogP
- -8.2
- Topological polar surface area
- 365 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 15
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Boiling point
- 1179.7 · 1179.7±65.0 °C(Predicted)
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- pka
- 12.62 · 12.62±0.70(Predicted)
Chemistry & industry
Suppliers3 total
上海维亦特生物科技有限公司15317051735 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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