2′,3′-Dideoxycytidine 5′-Monophosphate

CAS: 104086-76-2 | C9H14N3O6P

Loading 3D structure...

CAS Registry Number: 104086-76-2

Molecular Formula: C9H14N3O6P

Molecular Mass: 291.20 g/mol

2′,3′-Dideoxycytidine 5′-Monophosphate

5′-Cytidylic acid, 2′,3′-dideoxy-

2′,3′-Dideoxy-5′-cytidylic acid

2′,3′-Dideoxycytidine 5′-monophosphate

2′,3′-Dideoxycytidine monophosphate

Zalcitabine monophosphate

N=c1ccn([C@H]2CC[C@@H](COP(=O)(O)O)O2)c(O)n1

InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	291.20 g/mol	CAS Common Chemistry
	291.2 g/mol	RDKit
	291.062021798 g/mol	RDKit
Canonical SMILES	O=C1N=C(N)C=CN1C2OC(COP(=O)(O)O)CC2	CAS Common Chemistry
InChI	InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1	CAS Common Chemistry
InChI Key	InChIKey=RAJMXAZJKUGYGW-POYBYMJQSA-N	CAS Common Chemistry
Name	2′,3′-Dideoxycytidine 5′-monophosphate	CAS Common Chemistry
Heavy Atom Count	19	RDKit
Hydrogen Bond Acceptors	7	RDKit
Hydrogen Bond Donors	4	RDKit
Rotatable Bonds	4	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	137.89000000000001 Å²	RDKit
LogP	-0.14493000000000028	RDKit
Molar Refractivity	60.88660000000003	RDKit