(2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane)

C95H169ClF4N4O22P2 — CID 160697918

IUPAC(2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane)
SMILESC.C.C.C.CC(C)N(C(C)C)P(=O)(CCC#N)N(C(C)C)C(C)C.CC1(C)CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@@H]1O.CC1(C)CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F.CC1(C)CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1O.CC1(C)CO[C@H](CO)C(O)[C@H]1F.[2H]C([3H])Cl.[2H]C[C@H]1OCC(C)(C)[C@H](F)C1O.[2H]C[C@H]1OCC(C)(C)[C@H](F)C1OP(C)OCCC#N.[3H]OC.[3H]OC
InChIInChI=1S/C15H19FO3.C15H32N3OP.2C15H20O4.C12H21FNO3P.C8H15FO3.C8H15FO2.CH3Cl.2CH4O.4CH4/c1-15(2)9-18-11-8-17-14(19-12(11)13(15)16)10-6-4-3-5-7-10;1-12(2)17(13(3)4)20(19,11-9-10-16)18(14(5)6)15(7)8;2*1-15(2)9-18-11-8-17-14(19-12(11)13(15)16)10-6-4-3-5-7-10;1-9-10(11(13)12(2,3)8-15-9)17-18(4)16-7-5-6-14;1-8(2)4-12-5(3-10)6(11)7(8)9;1-5-6(10)7(9)8(2,3)4-11-5;3*1-2;;;;/h3-7,11-14H,8-9H2,1-2H3;12-15H,9,11H2,1-8H3;2*3-7,11-14,16H,8-9H2,1-2H3;9-11H,5,7-8H2,1-4H3;5-7,10-11H,3-4H2,1-2H3;5-7,10H,4H2,1-3H3;1H3;2*2H,1H3;4*1H4/t11-,12?,13-,14-;;11-,12?,13+,14-;11-,12?,13-,14-;9-,10?,11-,18?;2*5-,6?,7-;;;;;;;/m1.11111......./s1/i;;;;1D;;1D;1TD;2*2T;;;;
InChIKeyRQFSLFKPARMQPQ-IKEKMLARSA-N
MW1901.84 g/mol
LogP17.84
Rot. Bonds19

About (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane)

(2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane) (PubChem CID 160697918) has the molecular formula C95H169ClF4N4O22P2 and a molecular weight of 1901.84 g/mol. Its IUPAC name is (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane).

Molecular Properties

Compound Name(2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane)
PubChem CID160697918
Molecular FormulaC95H169ClF4N4O22P2
Molecular Weight1901.84 g/mol
Exact Mass1900.18
IUPAC Name(2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane)
SMILESC.C.C.C.CC(C)N(C(C)C)P(=O)(CCC#N)N(C(C)C)C(C)C.CC1(C)CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@@H]1O.CC1(C)CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F.CC1(C)CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1O.CC1(C)CO[C@H](CO)C(O)[C@H]1F.[2H]C([3H])Cl.[2H]C[C@H]1OCC(C)(C)[C@H](F)C1O.[2H]C[C@H]1OCC(C)(C)[C@H](F)C1OP(C)OCCC#N.[3H]OC.[3H]OC
InChIInChI=1S/C15H19FO3.C15H32N3OP.2C15H20O4.C12H21FNO3P.C8H15FO3.C8H15FO2.CH3Cl.2CH4O.4CH4/c1-15(2)9-18-11-8-17-14(19-12(11)13(15)16)10-6-4-3-5-7-10;1-12(2)17(13(3)4)20(19,11-9-10-16)18(14(5)6)15(7)8;2*1-15(2)9-18-11-8-17-14(19-12(11)13(15)16)10-6-4-3-5-7-10;1-9-10(11(13)12(2,3)8-15-9)17-18(4)16-7-5-6-14;1-8(2)4-12-5(3-10)6(11)7(8)9;1-5-6(10)7(9)8(2,3)4-11-5;3*1-2;;;;/h3-7,11-14H,8-9H2,1-2H3;12-15H,9,11H2,1-8H3;2*3-7,11-14,16H,8-9H2,1-2H3;9-11H,5,7-8H2,1-4H3;5-7,10-11H,3-4H2,1-2H3;5-7,10H,4H2,1-3H3;1H3;2*2H,1H3;4*1H4/t11-,12?,13-,14-;;11-,12?,13+,14-;11-,12?,13-,14-;9-,10?,11-,18?;2*5-,6?,7-;;;;;;;/m1.11111......./s1/i;;;;1D;;1D;1TD;2*2T;;;;
InChIKeyRQFSLFKPARMQPQ-IKEKMLARSA-N
XLogP17.84
TPSA341.96 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001901.84
LogP ≤ 517.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane) with MolForge

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Launch Full Analysis

Related Compounds

dipotassium;(2R,4aR,7R)-8,8-difluoro-7-methyl-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;(2R,4aR,7S)-8,8-difluoro-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol;[(2R,4aR,7S)-8,8-difluoro-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl] 2,2-dimethylpropanoate;[(2R,4aR,7S,8R)-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 2,2-dimethylpropanoate;[(2R,4aR,7S)-8-oxo-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl] 2,2-dimethylpropanoate;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,5R)-2-(deuteriomethyl)-4,4-difluoro-5-methyloxan-3-ol;3-[[(2R,5R)-2-(deuteriomethyl)-4,4-difluoro-5-methyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;1,1-difluoro-N,N-dimethylethanamine;(2R,5R)-4,4-difluoro-2-(hydroxymethyl)-5-methyloxan-3-ol;hydride;oxido formate;bis(tritiooxymethane)
CID 161299566
CID 167622185
CID 167622185
N-[5-[bis(4-methoxyphenyl)-phenylmethyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 173132078
8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 67045674
(8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 45050715
(2S,4aR,7S,8R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 97267898
deuterio(fluoro)methane;[5-hydroxy-6-(hydroxymethyl)-2,4-bis(phenylmethoxy)oxan-3-yl] acetate;2-phenyl-6,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 158559549
3-[[(2R,3S,5R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(6,8-dimethyl-1-oxoisoquinolin-2-yl)oxolan-2-yl]methoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;methane
CID 160985566
(4aR,7R,8S,8aS)-7-fluoro-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 67156984
(4aR,6R,8R,8aR)-6-[(2S)-2,3-dimethoxypropyl]-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol
CID 10761412
(2S,5R)-2-[[(6R,8aS)-7-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 139026189
[(4aR,7S,8R,8aR)-8-(2-methoxyethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate
CID 58061976

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane)?
The IUPAC name of (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane) (CID 160697918) is (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane).
What is the SMILES notation for (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane)?
The canonical SMILES for (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane) is C.C.C.C.CC(C)N(C(C)C)P(=O)(CCC#N)N(C(C)C)C(C)C.CC1(C)CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@@H]1O.CC1(C)CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1F.CC1(C)CO[C@@H]2CO[C@@H](c3ccccc3)OC2[C@H]1O.CC1(C)CO[C@H](CO)C(O)[C@H]1F.[2H]C([3H])Cl.[2H]C[C@H]1OCC(C)(C)[C@H](F)C1O.[2H]C[C@H]1OCC(C)(C)[C@H](F)C1OP(C)OCCC#N.[3H]OC.[3H]OC.
What is the InChIKey of (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane)?
The InChIKey is RQFSLFKPARMQPQ-IKEKMLARSA-N. The full InChI is InChI=1S/C15H19FO3.C15H32N3OP.2C15H20O4.C12H21FNO3P.C8H15FO3.C8H15FO2.CH3Cl.2CH4O.4CH4/c1-15(2)9-18-11-8-17-14(19-12(11)13(15)16)10-6-4-3-5-7-10;1-12(2)17(13(3)4)20(19,11-9-10-16)18(14(5)6)15(7)8;2*1-15(2)9-18-11-8-17-14(19-12(11)13(15)16)10-6-4-3-5-7-10;1-9-10(11(13)12(2,3)8-15-9)17-18(4)16-7-5-6-14;1-8(2)4-12-5(3-10)6(11)7(8)9;1-5-6(10)7(9)8(2,3)4-11-5;3*1-2;;;;/h3-7,11-14H,8-9H2,1-2H3;12-15H,9,11H2,1-8H3;2*3-7,11-14,16H,8-9H2,1-2H3;9-11H,5,7-8H2,1-4H3;5-7,10-11H,3-4H2,1-2H3;5-7,10H,4H2,1-3H3;1H3;2*2H,1H3;4*1H4/t11-,12?,13-,14-;;11-,12?,13+,14-;11-,12?,13-,14-;9-,10?,11-,18?;2*5-,6?,7-;;;;;;;/m1.11111......./s1/i;;;;1D;;1D;1TD;2*2T;;;;.
What are the key properties of (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane)?
(2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane) has a molecular weight of 1901.84 g/mol, XLogP of 17.84, 19 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8R)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol;(2R,4aR,8S)-8-fluoro-7,7-dimethyl-2-phenyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine;3-bis[di(propan-2-yl)amino]phosphorylpropanenitrile;chloro-deuterio-tritiomethane;(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-ol;3-[[(2R,4S)-2-(deuteriomethyl)-4-fluoro-5,5-dimethyloxan-3-yl]oxy-methylphosphanyl]oxypropanenitrile;(2R,4S)-4-fluoro-2-(hydroxymethyl)-5,5-dimethyloxan-3-ol;methane;bis(tritiooxymethane) is sourced from PubChem (CID 160697918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).