Basic information
- CAS
858132-37-3- Standard SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cc4cc(C)oc4nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
BRLMSFJPMCNPMI-CWXYRQPOSA-N- Molecular formula
- C42H49N4O8P
- Average molar mass
- 768.8 g/mol
- Monoisotopic mass
- 768.32880153
Names & identifiers
- Preferred name
- Furano-DT cep
- IUPAC
- 3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-methyl-2-oxofuro[2,3-d]pyrimidin-3-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
- English name
- Furano-dT CEP
- Molecular formula
- C42H49N4O8P
- Molecular weight
- 768.83
Names & synonyms
FURANO-DT CEP858132-37-33-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-methyl-2-oxofuro[2,3-d]pyrimidin-3-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrileDTXSID0010990843-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-I(2)-D-erythro-pentofuranosyl]-6-methylfuro[2,3-d]pyrimidin-2(3H)-oneFuro[2,3-d]pyrimidin-2(3H)-one, 3-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-deoxy-β-D-erythro-pentofuranosyl]-6-methyl-
Database identifiers
- CAS
858132-37-3- PubChem CID
- 90477151
- DTXSID
DTXSID001099084
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,390
Physicochemical properties
- Boiling point
- 794.3 · 794.3±70.0 °C(Predicted)
- pka
- 3.45 · 3.45±0.70(Predicted)
Chemistry & industry
Suppliers4 total
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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