dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate

C64H103BrK2N4NaO29+ — CID 159380443

About dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate

dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate (PubChem CID 159380443) has the molecular formula C64H103BrK2N4NaO29+ and a molecular weight of 1573.62 g/mol. Its IUPAC name is dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate.

Molecular Properties

• Compound Name: dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate
• PubChem CID: 159380443
• Molecular Formula: C64H103BrK2N4NaO29+
• Molecular Weight: 1573.62 g/mol
• Exact Mass: 1571.51
• IUPAC Name: dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate
• SMILES: BrCc1ccccc1.CC(=O)O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[C@@H]1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)[C@@H](O)O1.C[C@@H]1CC(NC(=O)OC(C)(C)C)C(O)[C@@H](O)O1.C[C@@H]1CC([N+](=O)[O-])C(O)[C@@H](O)O1.C[C@@H]1CC([NH3+])C(O)[C@@H](O)O1.O=CO[O-].O=CO[O-].[H-].[K+].[K+].[Na+]
• InChI: InChI=1S/C20H25NO3.C11H21NO5.C10H18O5.C7H7Br.C6H11NO5.C6H13NO3.C2H4O2.2CH2O3.2K.Na.H/c1-15-12-18(19(22)20(23)24-15)21(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-6-5-7(8(13)9(14)16-6)12-10(15)17-11(2,3)4;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-6-7-4-2-1-3-5-7;1-3-2-4(7(10)11)5(8)6(9)12-3;1-3-2-4(7)5(8)6(9)10-3;1-2(3)4;2*2-1-4-3;;;;/h2-11,15,18-20,22-23H,12-14H2,1H3;6-9,13-14H,5H2,1-4H3,(H,12,15);1-6H3;1-5H,6H2;3-6,8-9H,2H2,1H3;3-6,8-9H,2,7H2,1H3;1H3,(H,3,4);2*1,3H;;;;/q;;;;;;;;;3*+1;-1/p-1/t15-,18?,19?,20+;6-,7?,8?,9+;;;2*3-,4?,5?,6+;;;;;;;/m11..11......./s1
• InChIKey: QHRWHOVXCKMPNL-ZAJUHIHPSA-M
• XLogP: -6.34
• TPSA: 508.96 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1573.62
LogP ≤ 5	-6.34
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate?

The IUPAC name of dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate (CID 159380443) is dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate.

What is the SMILES notation for dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate?

The canonical SMILES for dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate is BrCc1ccccc1.CC(=O)O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[C@@H]1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)[C@@H](O)O1.C[C@@H]1CC(NC(=O)OC(C)(C)C)C(O)[C@@H](O)O1.C[C@@H]1CC([N+](=O)[O-])C(O)[C@@H](O)O1.C[C@@H]1CC([NH3+])C(O)[C@@H](O)O1.O=CO[O-].O=CO[O-].[H-].[K+].[K+].[Na+].

What is the InChIKey of dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate?

The InChIKey is QHRWHOVXCKMPNL-ZAJUHIHPSA-M. The full InChI is InChI=1S/C20H25NO3.C11H21NO5.C10H18O5.C7H7Br.C6H11NO5.C6H13NO3.C2H4O2.2CH2O3.2K.Na.H/c1-15-12-18(19(22)20(23)24-15)21(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-6-5-7(8(13)9(14)16-6)12-10(15)17-11(2,3)4;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-6-7-4-2-1-3-5-7;1-3-2-4(7(10)11)5(8)6(9)12-3;1-3-2-4(7)5(8)6(9)10-3;1-2(3)4;2*2-1-4-3;;;;/h2-11,15,18-20,22-23H,12-14H2,1H3;6-9,13-14H,5H2,1-4H3,(H,12,15);1-6H3;1-5H,6H2;3-6,8-9H,2H2,1H3;3-6,8-9H,2,7H2,1H3;1H3,(H,3,4);2*1,3H;;;;/q;;;;;;;;;3*+1;-1/p-1/t15-,18?,19?,20+;6-,7?,8?,9+;;;2*3-,4?,5?,6+;;;;;;;/m11..11......./s1.

What are the key properties of dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate?

dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate has a molecular weight of 1573.62 g/mol, XLogP of -6.34, 10 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;sodium;acetic acid;bromomethylbenzene;tert-butyl N-[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S,6R)-4-(dibenzylamino)-6-methyloxane-2,3-diol;[(2S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]azanium;hydride;(2S,6R)-6-methyl-4-nitrooxane-2,3-diol;oxido formate is sourced from PubChem (CID 159380443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).