Basic information
- CAS
16104-28-2- Standard SMILES
OC12CC3(O)CC(O)(C1)CC(O)(C2)C3- InChIKey
CPWNSSYGNSROKX-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- 1,3,5,7-Tetrahydroxyadamantane
- IUPAC
- adamantane-1,3,5,7-tetrol
- English name
- 1,3,5,7-tetrahydroxyadamantane
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
16104-28-21,3,5,7-tetrahydroxyadamantaneRefChem:217134adamantane-1,3,5,7-tetrolAdamantane-1,3,5,7-tetraolTricyclo[3.3.1.13,7]decane-1,3,5,7-tetrolVildagliptin Impurity 8vildagliptin iMpurit 91,3,5,7-adamantanetetraolSCHEMBL546732adamantane-1,3,5,8-tetraolCPWNSSYGNSROKX-UHFFFAOYSA-N
Show more names
vildagliptin iMpurit 9adamantane-1,3,5,7-tetraol? (Vildagliptin Impurity）
DTXSID301306925MFCD03426975SBB092606CS-0165404F88322AN-967/25120042F980639adamantane-1,3,5,7-tetraol? (Vildagliptin Impurity
Database identifiers
- CAS
16104-28-2- PubChem CID
- 820093
- DTXSID
DTXSID301306925- Nikkaji
- J1.491.582F
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 316 · 316-317 °C
- Boiling point
- 393.1 · 393.1±42.0 °C(Predicted)
- Density
- 1.881 · 1.881±0.06 g/cm3(Predicted)
- pka
- 13.48 · 13.48±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers44 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
Related reactions
5 records
Compound notes
Loading…