Basic information
- CAS
73532-83-9- Standard SMILES
CCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1OC(n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O- InChIKey
YJTVZHOYBAOUTO-XQJFJSCZSA-N- Molecular formula
- C27H50N3O8P
- Average molar mass
- 575.7 g/mol
- Monoisotopic mass
- 575.33355256
Names & identifiers
- Preferred name
- 1-{5-O-[Hydroxy(octadecyloxy)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol
- IUPAC
- [(2R,3S,4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octadecyl hydrogen phosphate
- English name
- 1-arabinofuranosylcytosine-5'-stearylphosphate
- Molecular formula
- C27H50N3O8P
- Molecular weight
- 575.68
Names & synonyms
DTXSID309943071-{5-O-[Hydroxy(octadecyloxy)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol1-{5-O-[Hydroxy(octadecyloxy)phosphoryl]-D-arabinofuranosyl}-4-imino-1,4-dihydropyrimidin-2-olYNK-01FosteabineStearyl-ara-CMPFosteabine (Cytarabine ocfosfateFosteabine (Synonyms: Cytarabine ocfosfate1-arabinofuranosylcytosine-5'-stearylphosphate2(1H)-Pyrimidinone, 4-amino-1-[5-O-[hydroxy(octadecyloxy)phosphinyl]-β-D-arabinofuranosyl]-4-Amino-1-[5-O-[(hydroxy)(octadecyloxy)phosphinyl]-β-D-arabinofuranosyl]-1,2-dihydropyrimidin-2-one(2R,3S,4S,5R)-5-[4-Amino-2-oxopyrimidin-1(2H)-yl]-3,4-dihydroxy-2-tetrahydrofuryl]methyl Octadecyl Hydrogen Phosphate
Database identifiers
- CAS
73532-83-9- PubChem CID
- 84071
- DTXSID
DTXSID30994307
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 22
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 812
Physicochemical properties
- Boiling point
- 711.6 · 711.6±70.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 1.44 · 1.44±0.50(Predicted)
- FDA UNII
- 897 BCV4O · KU897BCV4O
Chemistry & industry
Applications
UsesFosteabine is an oral and proagent analogue of cytarabine which is resistant to deoxycytidine deaminase.
Upstream & downstream products
Upstream raw materials
Suppliers10 total
韶远科技(上海)有限公司4000665055 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海梅凯科技有限公司
Related reactions
0 records
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Compound notes
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