Basic information
- CAS
1956-30-5- Standard SMILES
CC(=O)OC(I)C1OC(n2ccc(=O)[nH]c2=O)CC1OC(C)=O- InChIKey
AJHVMHGESCYBHX-UHFFFAOYSA-N- Molecular formula
- C13H15IN2O7
- Average molar mass
- 438.17 g/mol
- Monoisotopic mass
- 437.9924
Names & identifiers
- Preferred name
- 1-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
- IUPAC
- [2-[acetyloxy(iodo)methyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
- English name
- 3',5'-Diacetyl-5-iodo-2'-deoxyuridine
- Molecular formula
- C13H15IN2O7
- Molecular weight
- 438.17
Names & synonyms
DTXSID109413391-(3,5-Di-O-acetyl-2-deoxy-5-C-iodopentofuranosyl)-4-hydroxypyrimidin-2(1H)-one3',5'-Di-O-Ac-5-I-2'-dU3'',5''-Diacetyl-5-iododeoxyuridine3',5'-Diacetyl-5-iodo-2'-deoxyuridine5-IODO-2'-DEOXYURIDINE 3',5'-DIACETATE2'-deoxy-5-iodouridine 3',5'-diacetate3',5'-Di-O-acetyl-2'-deoxy-5-iodouridine5-Iodo-3'-O,5'-O-diacetyl-2'-deoxyuridineUridine, 2'-deoxy-5-iodo-, 3',5'-diacetate3',5'-DIACETYL-5-IODO-2'-DEOXYURIDINE, 99+%3',5'-DIACETYL-5-IODO-2'-DEOXYURIDINE USP/EP/BP
Database identifiers
- CAS
1956-30-5- PubChem CID
- 102728
- DTXSID
DTXSID10941339
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 565
Physicochemical properties
- Melting point
- 161 · 161-163 °C
- Density
- 1.81 · 1.81
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 7.94 · 7.94±0.10(Predicted)
- InChI
- InChI=1S/C13H15IN2O7/c1-6(17)21-5-10-9(22-7(2)18)3-11(23-10)16-4-8(14)12(19)15-13(16)20/h4,9-11H,3,5H2,1-2H3,(H,15,19,20)/t9-,10+,11+/m0/s1
- InChIKey
- LVDYIZDWXVFTQG-HBNTYKKESA-N
- SMILES
- C(OC(=O)C)[C@H]1O[C@@H](N2C=C(I)C(=O)NC2=O)C[C@@H]1OC(=O)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29389090 · 29389090
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
- 29389090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers18 total
北京华美互利生物化工010-56205725 · [email protected]
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京百芙利科技有限责任公司25-25-58740604 15951658055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
郑州诺科赛德生物科技有限公司15981919713 15981919713 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海玄亨医药科技有限公司18202133986 · [email protected]
浙江天酶生物工程有限公司19967302939 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
上海兆维科技发展有限公司021-64757213 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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