Basic information
- CAS
53928-30-6- Standard SMILES
CC1(C)O[C@H]2O[C@H]([C@@H](COCc3ccccc3)OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1- InChIKey
RNPMTPOOMRPILB-XYPQWYOHSA-N- Molecular formula
- C30H34O6
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.2355388
Names & identifiers
- Preferred name
- 3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose
- IUPAC
- (3aR,5R,6S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
- English name
- 1,2-O-Isopropylidene-3,5,6-tri-O-benzyl-alpha-D-glucofuranose
- Molecular formula
- C30H34O6
- Molecular weight
- 490.59
Names & synonyms
53928-30-6EINECS 258-868-33,5,6-tri-O-.benzyl-1,2-O-isopropylidene-alpha-D-glucofuranose1,2-O-ISOPROPYLIDENE-3,5,6-TRI-O-BENZYL-ALPHA-D-GLUCOFURANOSEJ63MA3RV3G3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-alpha-D-glucofuranoseEC 258-868-3TRIBENOSIDE IMPURITY A [EP IMPURITY]1,2-O-ISOPROPYLIDENE-3,5,6-TRI-O-BENZYL-.ALPHA.-D-GLUCOFURANOSE.ALPHA.-D-GLUCOFURANOSE, 1,2-O-(1-METHYLETHYLIDENE)-3,5,6-TRIS-O-(PHENYLMETHYL)-TRIBENOSIDE IMPURITY A (EP IMPURITY)RefChem:486471
Show more names
Tribenoside ImpurityTribenoside impurity A CRSTribenzyl glycoside EP Impurity ATri-O-Benzyl-Monoacetone-D-GlucofuranoseTri-O-benzyl-a-D-monoacetoneglucofuranoseTribenoside Impurity 1（Tribenoside EP Impurity A）3,5,6-O-Tribenzyl-1,2-O-isopropylidene-D-glucofuranose
1,2-O-(1-Methylethylidene)-3,5,6-tris-O-(phenylmethyl)-alpha-D-glucofuranoseALPHA-D-GLUCOFURANOSE, 1,2-O-(1-METHYLETHYLIDENE)-3,5,6-TRIS-O-(PHENYLMETHYL)-258-868-3(3AR,5R,6S,6aR)-6-(benzyloxy)-5-((R)-1,2-bis(benzyloxy)ethyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole3,5,6-Tri-O-benzyl-1,2-O-isopropylidene-D-glucofuranose3,5,6-Tri-O-benzyl-1,2-O-Isopropylidene-a-D-glucofuranose(3aR,5R,6S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxoleTribenoside EP Impurity A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- Boiling point
- 589.7 · 589.7±50.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- RNPMTPOOMRPILB-XYPQWYOHSA-N
- SMILES
- [C@]12([H])OC(C)(C)O[C@@]1([H])O[C@]([H])([C@@H](COCC1C=CC=CC=1)OCC1=CC=CC=C1)[C@@H]2OCC1C=CC=CC=1 |&1:0,7,10,12,30,r|
- FDA UNII
- 63 MA3RV3G · J63MA3RV3G
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P316, P318, P321, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3,5,6-tri-O-.benzyl-1,2-O-isopropylidene-α-D-glucofuranose (EC: 258-868-3)
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,2-O-Isopropylidene-3,5,6-tri-O-benzyl-α-D-glucofuranose can be used in cancer treatment as it exhibits antitumor and antiproliferative activity.
Upstream & downstream products
Downstream products
Suppliers60 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
南京百芙利科技有限责任公司25-25-58740604 15951658055 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
宁波保税区菲立化学有限公司+86 (576) 8169-6106 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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