LCC

[(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHYLCYTOSIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE

Created:	2002-06-27
Last modified:	2011-06-04

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3 entries where LCC is covalently linked to polymer or other heterogen groups 56 entries where LCC is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	4
Bond Count	41
Aromatic Bond Count	0

2D diagram of LCC

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Chemical Component Summary
Name	[(1R,3R,4R,7S)-7-HYDROXY-3-(5-METHYLCYTOSIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(1R,4R,5R,7S)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-7-hydroxy-3,6-dioxabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
Formula	C₁₁ H₁₆ N₃ O₈ P
Molecular Weight	349.234
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N=C(N)C(=CN1C3OC2(C(O)C3OC2)COP(=O)(O)O)C
SMILES	CACTVS	3.341	CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O)CO[P](O)(O)=O)C(=O)N=C1N
SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)N=C1N)C2C3C(C(O2)(CO3)COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	CC1=CN([C@@H]2O[C@]3(CO[C@@H]2[C@@H]3O)CO[P](O)(O)=O)C(=O)N=C1N
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C11H16N3O8P/c1-5-2-14(10(16)13-8(5)12)9-6-7(15)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,15H,3-4H2,1H3,(H2,12,13,16)(H2,17,18,19)/t6-,7+,9-,11-/m1/s1
InChIKey	InChI	1.03	RSSHBVFUGGVGMZ-YRCORFKGSA-N

Related Resource References

Resource Name	Reference
PubChem	52942974

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