- Cytosine
- Cytosine arabinoside palmitate
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| Name |
Cytosine arabinoside palmitate |
EINECS | N/A |
| CAS No. | 41948-17-8 | Density | 1.23g/cm3 |
| PSA | 137.89000 | LogP | 3.81160 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C25H43N3O6 | Boiling Point | 630.5°Cat760mmHg |
| Molecular Weight | 481.71 | Flash Point | 335.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cytosine arabinoside palmitate; |
Cytosine arabinoside palmitate Chemical Properties
Molecule structure of Cytosine arabinoside palmitate (CAS NO.41948-17-8):
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IUPAC Name: [(2R,3S,4R,5R)-2-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hexadecanoate
Molecular Weight: 481.62542 g/mol
Molecular Formula: C25H43N3O6
Density: 1.23 g/cm3
Boiling Point: 630.5 °C at 760 mmHg
Flash Point: 335.1 °C
Index of Refraction: 1.566
Molar Refractivity: 127.59 cm3
Molar Volume: 391.1 cm3
Polarizability: 50.58×10-24 cm3
Surface Tension: 47 dyne/cm
Enthalpy of Vaporization: 106.88 kJ/mol
Vapour Pressure: 1.52E-18 mmHg at 25 °C
XLogP3: 5.8
H-Bond Donor: 3
H-Bond Acceptor: 7
Rotatable Bond Count: 18
Tautomer Count: 3
Exact Mass: 481.315186
MonoIsotopic Mass: 481.315186
Topological Polar Surface Area: 135
Heavy Atom Count: 34
Complexity: 684
Defined Atom StereoCenter Count: 4
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC1C(C(OC1N2C=CC(=NC2=O)N)CO)O
Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI: InChI=1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(30)34-23-22(31)19(18-29)33-24(23)28-17-16-20(26)27-25(28)32/h16-17,19,22-24,29,31H,2-15,18H2,1H3,(H2,26,27,32)/t19-,22-,23+,24-/m1/s1
InChIKey of Cytosine arabinoside palmitate (CAS NO.41948-17-8): SOEXTZFBOWJCAE-OUJCMCIWSA-N
Cytosine arabinoside palmitate Toxicity Data With Reference
| 1. | dni-rat-ipr 200 mg/kg | TJADAB Teratology, A Journal of Abnormal Development. 7 (1973),219. | ||
| 2. | ipr-rat TDLo:200 mg/kg (12 D preg):TER | TJADAB Teratology, A Journal of Abnormal Development. 7 (1973),219. | ||
| 3. | ipr-mus LD50:155 mg/kg | NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 . |
Cytosine arabinoside palmitate Safety Profile
Poison by intraperitoneal route. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Cytosine arabinoside palmitate Specification
Cytosine arabinoside palmitate (CAS NO.41948-17-8) is also named as 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone monohexadecanoate (ester) ; 2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohexadecanoate (ester) .
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