Rp-5-OMe-UDPαB   Click here for help

GtoPdb Ligand ID: 5910

Synonyms: 5-OMe-uridine-5'-O-(α-boranodiphosphate) | compound 18a [PMID: 22901672] [1]
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 221.01
Molecular weight 433.06
XLogP -5.07
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COC1CN(C(=O)NC1=O)C1OC(C(C1O)O)COP(=O)(OP(=O)(O)O)[BH3-]
Isomeric SMILES COC1CN(C(=O)NC1=O)C1O[C@@H]([C@@H]([C@@H]1O)O)CO[P@@](=O)(OP(=O)(O)O)[BH3-]
InChI InChI=1S/C10H20BN2O12P2/c1-22-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)3-23-26(11,18)25-27(19,20)21/h4-7,9,14-15H,2-3H2,1,11H3,(H,12,16,17)(H2,19,20,21)/q-1/t4?,5-,6+,7+,9?,26-/m1/s1
InChI Key YXHXVAMQDBFYRD-ANTPIODHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
{[(R)-boranuidyl({[(2R,3R,4S)-3,4-dihydroxy-5-(5-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid
Synonyms Click here for help
5-OMe-uridine-5'-O-(α-boranodiphosphate) | compound 18a [PMID: 22901672] [1]
Database Links Click here for help
GtoPdb PubChem SID 178102533
PubChem CID 73755169
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