Basic information
- CAS
499104-69-7- Standard SMILES
CC(=O)NC1C(OCc2ccccc2)OC2COC(c3ccccc3)OC2C1OC(C)C(=O)O- InChIKey
JPPMVSNCFXDOJX-UHFFFAOYSA-N- Molecular formula
- C25H29NO8
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.18931688
Names & identifiers
- Preferred name
- 2-[[7-(Acetylamino)-6-(benzyloxy)-2-phenylperhydropyrano[3,2-D][1,3]dioxin-8-YL]oxy]propanoic acid
- IUPAC
- 2-[(7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy]propanoic acid
- English name
- 2-[[7-(ACETYLAMINO)-6-(BENZYLOXY)-2-PHENYLPERHYDROPYRANO[3,2-D][1,3]DIOXIN-8-YL]OXY]PROPANOIC ACID
- Molecular formula
- C25H29NO8
- Molecular weight
- 471.5
Names & synonyms
499104-69-72-[[7-(ACETYLAMINO)-6-(BENZYLOXY)-2-PHENYLPERHYDROPYRANO[3,2-D][1,3]DIOXIN-8-YL]OXY]PROPANOIC ACID2-[(7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy]propanoic acidAc-alpha-benzyl-4,6-O-benzylidene-muramic acid19229-57-3Benzyl N-acetyl-4,6-O-benzylidenemuramic acidBenzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-a-D-muramic acid(2R)-2-(((4aR,6S,7R,8R,8aS)-7-Acetamido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acid74842-55-0MixCom3_000170ChemDiv1_0289632-(3-ACETAMIDO-2-BENZYL-4,6,OBENZYLIDENE-ALPHA-D-GLUCOPYRNOSID-4-YLOXY)PROPIONIC ACID
Show more names
JPPMVSNCFXDOJX-UHFFFAOYSA-N2-{[7-(acetylamino)-6-(benzyloxy)-2-phenylperhydropyrano[3,2-d][1,3]dioxin-8-yl]oxy}Hexopyranoside, phenylmethyl 2-(acetylamino)-3-O-(1-carboxyethyl)-2-deoxy-4,6-O-(phenylmethylene)-
AKOS001595266DB-051700DB-055914SR-01000418551SR-01000418551-1
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Melting point
- 220 °C · 220 °C
- Boiling point
- 717.7 · 717.7±60.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 3.33 · 3.33±0.10(Predicted)
- form
- solid
- color
- Off white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- HS Code
- 2932990090 · 2932990090
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
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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