Basic information
- CAS
362-75-4- Standard SMILES
CC1(C)OC2C(CO)OC(n3cnc4c(N)ncnc43)C2O1- InChIKey
LCCLUOXEZAHUNS-UHFFFAOYSA-N- Molecular formula
- C13H17N5O4
- Average molar mass
- 307.31 g/mol
- Monoisotopic mass
- 307.12805402
Names & identifiers
- Preferred name
- 2',3'-O-Isopropylideneadenosine
- IUPAC
- [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
Adenosine, 2',3'-O-(1-methylethylidene)-Adenosine, 2',3'-O-isopropylidene-RefChem:80077Adenosine, 2',3'-O-isopropylidene-(8CI)Adenosine, 2',3'-O-(1-methylethylidene)-(9CI)2',3'-O-Isopropylideneadenosine362-75-4LCCLUOXEZAHUNS-UHFFFAOYSA-N[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol7690-93-9[6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methanol(6-(6-Amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol
Show more names
NSC 294132',3'-IPAISOPROPYLIDENE ADENOSINE2,3-Isopropylideneadeosine-O-Isopropylideneadenosine2',3'-ISOPROPYLIDENEADENOSINE2',3'-o-Isopropylideneadenosin2',3'-o-lsopropylideneadenosine
9H-Purin-6-amine, 9-[2,3-O-(1-methylethylidene)-beta-ribofuranosyl]-2',3'-ISOPROPYLIDENE ADENOSINE2',3'-O-isopropylidene-adenosine2',3'-ISOPROPYLIDENE-ADENOSINESCHEMBL42543762',3' isopropylidene adenosineSCHEMBL293806252', 3'-isopropylidene adenosine
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
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
Suppliers101 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
6 records
Compound notes
Loading…