Basic information
- CAS
362-75-4- Standard SMILES
CC1(C)OC2[C@@H](O1)[C@H](n1cnc3c(N)ncnc31)O[C@@H]2CO- InChIKey
LCCLUOXEZAHUNS-ITDQULNMSA-N- Molecular formula
- C13H17N5O4
- Average molar mass
- 307.31 g/mol
- Monoisotopic mass
- 307.12805404
Names & identifiers
- Preferred name
- 2',3'-Isopropylideneadenosine
- IUPAC
- [(3aR,4R,6R)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
- English name
- 2',3'-O-Isopropylideneadenosine
- Molecular formula
- C13H17N5O4
- Molecular weight
- 307.31
Names & synonyms
2',3'-Isopropylideneadenosine2',3'-o-isopropylidene adenosine2',3'-O-(1-Methylethylidene)adenosineRefChem:80064206-650-3NSC 294132',3'-IPAISOPROPYLIDENE ADENOSINE2,3-Isopropylideneadeosine-O-Isopropylideneadenosine2',3'-o-Isopropylideneadenosin2',3'-o-lsopropylideneadenosine
Show more names
2',3'-o-Isopropylideneadenosine2',3'-O-Isopropylideneadenosine
Database identifiers
- CAS
362-75-4- PubChem CID
- 67762
- EC Number
- 206-650-3
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 221 · 221-222 °C(lit.)
- Boiling point
- 447.81 °C · 447.81°C (rough estimate)
- Density
- 1.237 · 1.2370 (rough estimate)
- refractive index
- -105 ° · -105 ° (C=1, Dioxane)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Dioxane (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly)
- pka
- 14.14 · 14.14±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to off-white
- optical activity
- 20 · [α]20/D 98.5°, c = 1 in dioxane
- BRN
- 43435 · 43435
- InChI
- InChI=1S/C13H17N5O4/c1-13(2)21-8-6(3-19)20-12(9(8)22-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
- InChIKey
- LCCLUOXEZAHUNS-WOUKDFQISA-N
- SMILES
- OC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)[C@@H]2OC(O[C@H]12)(C)C
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses2',3'-O-Isopropylideneadenosine is used as an organic chemical synthesis intermediate.
Upstream & downstream products
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
河北立业化学制品有限公司0310-6697998 13930001710 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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