sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide

C73H77Cl2N8NaO12S2 — CID 159896812

IUPACsodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide
SMILESC[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O.N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O.O=S(Cl)Cl.O=S1OC2CCC[C@@H](N3c4ccccc4Oc4ccccc43)C2O1.O[C@@H]1[C@H](O)CCC[C@H]1N1c2ccccc2Oc2ccccc21.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C19H21NO2.C18H20N2O2.C18H17NO4S.C18H19NO3.Cl2OS.N3.Na/c1-13-7-6-10-16(19(13)21)20-14-8-2-4-11-17(14)22-18-12-5-3-9-15(18)20;19-12-6-5-9-15(18(12)21)20-13-7-1-3-10-16(13)22-17-11-4-2-8-14(17)20;20-24-22-17-11-5-8-14(18(17)23-24)19-12-6-1-3-9-15(12)21-16-10-4-2-7-13(16)19;20-15-9-5-8-14(18(15)21)19-12-6-1-3-10-16(12)22-17-11-4-2-7-13(17)19;1-4(2)3;1-3-2;/h2-5,8-9,11-13,16,19,21H,6-7,10H2,1H3;1-4,7-8,10-12,15,18,21H,5-6,9,19H2;1-4,6-7,9-10,14,17-18H,5,8,11H2;1-4,6-7,10-11,14-15,18,20-21H,5,8-9H2;;;/q;;;;;-1;+1/t13-,16+,19+;12-,15+,18+;14-,17?,18?,24?;14-,15-,18+;;;/m0011.../s1
InChIKeyQGWOANNRJBCBJC-FWGJJGSZSA-N
MW1416.49 g/mol
LogP13.61
Rot. Bonds4

About sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide

sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide (PubChem CID 159896812) has the molecular formula C73H77Cl2N8NaO12S2 and a molecular weight of 1416.49 g/mol. Its IUPAC name is sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide.

Molecular Properties

Compound Namesodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide
PubChem CID159896812
Molecular FormulaC73H77Cl2N8NaO12S2
Molecular Weight1416.49 g/mol
Exact Mass1414.44
IUPAC Namesodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide
SMILESC[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O.N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O.O=S(Cl)Cl.O=S1OC2CCC[C@@H](N3c4ccccc4Oc4ccccc43)C2O1.O[C@@H]1[C@H](O)CCC[C@H]1N1c2ccccc2Oc2ccccc21.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C19H21NO2.C18H20N2O2.C18H17NO4S.C18H19NO3.Cl2OS.N3.Na/c1-13-7-6-10-16(19(13)21)20-14-8-2-4-11-17(14)22-18-12-5-3-9-15(18)20;19-12-6-5-9-15(18(12)21)20-13-7-1-3-10-16(13)22-17-11-4-2-8-14(17)20;20-24-22-17-11-5-8-14(18(17)23-24)19-12-6-1-3-9-15(12)21-16-10-4-2-7-13(16)19;20-15-9-5-8-14(18(15)21)19-12-6-1-3-10-16(12)22-17-11-4-2-7-13(17)19;1-4(2)3;1-3-2;/h2-5,8-9,11-13,16,19,21H,6-7,10H2,1H3;1-4,7-8,10-12,15,18,21H,5-6,9,19H2;1-4,6-7,9-10,14,17-18H,5,8,11H2;1-4,6-7,10-11,14-15,18,20-21H,5,8-9H2;;;/q;;;;;-1;+1/t13-,16+,19+;12-,15+,18+;14-,17?,18?,24?;14-,15-,18+;;;/m0011.../s1
InChIKeyQGWOANNRJBCBJC-FWGJJGSZSA-N
XLogP13.61
TPSA268.12 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001416.49
LogP ≤ 513.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide?
The IUPAC name of sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide (CID 159896812) is sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide.
What is the SMILES notation for sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide?
The canonical SMILES for sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide is C[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O.N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O.O=S(Cl)Cl.O=S1OC2CCC[C@@H](N3c4ccccc4Oc4ccccc43)C2O1.O[C@@H]1[C@H](O)CCC[C@H]1N1c2ccccc2Oc2ccccc21.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide?
The InChIKey is QGWOANNRJBCBJC-FWGJJGSZSA-N. The full InChI is InChI=1S/C19H21NO2.C18H20N2O2.C18H17NO4S.C18H19NO3.Cl2OS.N3.Na/c1-13-7-6-10-16(19(13)21)20-14-8-2-4-11-17(14)22-18-12-5-3-9-15(18)20;19-12-6-5-9-15(18(12)21)20-13-7-1-3-10-16(13)22-17-11-4-2-8-14(17)20;20-24-22-17-11-5-8-14(18(17)23-24)19-12-6-1-3-9-15(12)21-16-10-4-2-7-13(16)19;20-15-9-5-8-14(18(15)21)19-12-6-1-3-10-16(12)22-17-11-4-2-7-13(17)19;1-4(2)3;1-3-2;/h2-5,8-9,11-13,16,19,21H,6-7,10H2,1H3;1-4,7-8,10-12,15,18,21H,5-6,9,19H2;1-4,6-7,9-10,14,17-18H,5,8,11H2;1-4,6-7,10-11,14-15,18,20-21H,5,8-9H2;;;/q;;;;;-1;+1/t13-,16+,19+;12-,15+,18+;14-,17?,18?,24?;14-,15-,18+;;;/m0011.../s1.
What are the key properties of sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide?
sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide has a molecular weight of 1416.49 g/mol, XLogP of 13.61, 4 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(1R,2S,6R)-2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;(1R,2S,6R)-2-methyl-6-phenoxazin-10-ylcyclohexan-1-ol;(4R)-4-phenoxazin-10-yl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;(1R,2S,3R)-3-phenoxazin-10-ylcyclohexane-1,2-diol;thionyl dichloride;azide is sourced from PubChem (CID 159896812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).