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Uridine 5'-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acid

HCID 11612730
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Basic information

CAS
71850-06-1
Standard SMILES
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIKey
YAMUBYIKSYFVRX-ZOQUXTDFSA-N
Molecular formula
C10H17N2O14P3
Average molar mass
482.17 g/mol
Monoisotopic mass
481.98926421

Names & identifiers

Preferred name
Uridine 5'-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acid
IUPAC
[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid

Names & synonyms

EINECS 276-089-771850-06-1Uridine 5'-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acidorb611220DTXSID2011485125'-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)uridine5a(2)-Uridylic acid, anhydride with P,Pa(2)-methylenebis[phosphonic acid] (1:1)

Database identifiers

CAS
71850-06-1
PubChem CID
11612730
DTXSID
DTXSID201148512
EC Number
276-089-7
Nikkaji
J318.783G

Properties

Computed structural properties

XLogP
-6
Topological polar surface area
250 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
14
Rotatable bonds
8
Heavy atoms
29
Formal charge
0
Complexity
839

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Compound notes

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