propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate

C138H174Cl6F6N12O54P6 — CID 157383675

IUPACpropan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate
SMILESCC(C)OC(=O)[C@H](C)CP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@H](C)C[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@H](C)C[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O)Oc1ccccc1.[2H]C([2H])(OP(=O)(C[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O.[2H]C([2H])(O[P@@](=O)(C[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O.[2H]C([2H])(O[P@](=O)(C[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O
InChIInChI=1S/6C23H29ClFN2O9P/c6*1-14(2)34-20(30)15(3)12-37(32,36-16-7-5-4-6-8-16)33-11-17-19(29)23(24,13-25)21(35-17)27-10-9-18(28)26-22(27)31/h6*4-10,14-15,17,19,21,29H,11-13H2,1-3H3,(H,26,28,31)/t2*15-,17-,19+,21-,23?,37?;2*15-,17-,19+,21-,23?,37+;2*15-,17-,19+,21-,23?,37-/m111111/s1/i11D2;;11D2;;11D2;
InChIKeyBLEHGUNAIHKRNQ-XXCJSUFESA-N
MW3383.53 g/mol
LogP15.71
Rot. Bonds66

About propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate

propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate (PubChem CID 157383675) has the molecular formula C138H174Cl6F6N12O54P6 and a molecular weight of 3383.53 g/mol. Its IUPAC name is propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate
PubChem CID157383675
Molecular FormulaC138H174Cl6F6N12O54P6
Molecular Weight3383.53 g/mol
Exact Mass3378.81
IUPAC Namepropan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate
SMILESCC(C)OC(=O)[C@H](C)CP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@H](C)C[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@H](C)C[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O)Oc1ccccc1.[2H]C([2H])(OP(=O)(C[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O.[2H]C([2H])(O[P@@](=O)(C[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O.[2H]C([2H])(O[P@](=O)(C[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O
InChIInChI=1S/6C23H29ClFN2O9P/c6*1-14(2)34-20(30)15(3)12-37(32,36-16-7-5-4-6-8-16)33-11-17-19(29)23(24,13-25)21(35-17)27-10-9-18(28)26-22(27)31/h6*4-10,14-15,17,19,21,29H,11-13H2,1-3H3,(H,26,28,31)/t2*15-,17-,19+,21-,23?,37?;2*15-,17-,19+,21-,23?,37+;2*15-,17-,19+,21-,23?,37-/m111111/s1/i11D2;;11D2;;11D2;
InChIKeyBLEHGUNAIHKRNQ-XXCJSUFESA-N
XLogP15.71
TPSA876.90 Ų
H-Bond Donors12
H-Bond Acceptors60
Rotatable Bonds66
Heavy Atoms222
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003383.53
LogP ≤ 515.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1060

Analyze propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate?
The IUPAC name of propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate (CID 157383675) is propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate?
The canonical SMILES for propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate is CC(C)OC(=O)[C@H](C)CP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@H](C)C[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@H](C)C[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O)Oc1ccccc1.[2H]C([2H])(OP(=O)(C[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O.[2H]C([2H])(O[P@@](=O)(C[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O.[2H]C([2H])(O[P@](=O)(C[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(CF)[C@H]1O.
What is the InChIKey of propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate?
The InChIKey is BLEHGUNAIHKRNQ-XXCJSUFESA-N. The full InChI is InChI=1S/6C23H29ClFN2O9P/c6*1-14(2)34-20(30)15(3)12-37(32,36-16-7-5-4-6-8-16)33-11-17-19(29)23(24,13-25)21(35-17)27-10-9-18(28)26-22(27)31/h6*4-10,14-15,17,19,21,29H,11-13H2,1-3H3,(H,26,28,31)/t2*15-,17-,19+,21-,23?,37?;2*15-,17-,19+,21-,23?,37+;2*15-,17-,19+,21-,23?,37-/m111111/s1/i11D2;;11D2;;11D2;.
What are the key properties of propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate?
propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate has a molecular weight of 3383.53 g/mol, XLogP of 15.71, 66 rotatable bonds, 12 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate;propan-2-yl (2S)-3-[[(2R,3S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]-2-methylpropanoate is sourced from PubChem (CID 157383675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).