Deoxycytidine
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Deoxycytidine
structure -
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CAS No:
951-77-9
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Formula:
C9H13N3O4
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Chemical Name:
Deoxycytidine
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Synonyms:
Cytidine,2′-deoxy-;Cytidine,deoxy-;2′-Deoxycytidine;Cytosine deoxyribonucleoside;Cytosine deoxyriboside;Deoxycytidine;Deoxyribose cytidine;2(1H)-Pyrimidinone,4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-;4-Amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone;1-(2-Deoxy-β-D-ribofuranosyl)cytosine;1236362-96-1
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CAS No:
Description
2'-Deoxycytidine, a deoxyribonucleoside, could inhibit biological effects of Bromodeoxyuridine (Brdu).
Solid
2'-deoxycytidine is a pyrimidine 2'-deoxyribonucleoside having cytosine as the nucleobase. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It derives from a cytosine.|Deoxycytidine is a nucleoside component of DNA, composed of cytosine and deoxyribose, with chemopreventive activity.|A nucleoside component of DNA composed of CYTOSINE and DEOXYRIBOSE.
Characteristics
108
-1.8
Solid
1.7±0.1 g/cm3
201-203 °C
497.6°C at 760 mmHg
245.4±31.5 °C
1.720
H2O: 50 mg/mL, clear, colorless
Store at RT.
5.47E-12mmHg at 25°C
154.5 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|146.84 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|158.41 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]|158.5 Ų [M+K]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|155.2 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|148.7 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|149.1 Ų [M-H]-
Safety Information
NONH for all modes of transport
3
S24/25
HA3800000
Stable under normal temperatures and pressures.
Computed Properties
Molecular Weight:227.22
XLogP3:-1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:227.09060590
Monoisotopic Mass:227.09060590
Topological Polar Surface Area:108
Heavy Atom Count:16
Complexity:355
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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