[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dinitrooxy-2,5-bis(nitrooxymethyl)oxolan-2-yl]oxy-3,5-dinitrooxy-6-(nitrooxymethyl)oxan-4-yl] nitrate

CAS: 30236-29-4

Molecular Formula	`C12H14N8O27`
Molecular Weight	702.28 g/mol
LogP	2.1
Topological Polar Surface Area	468.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	27
Rotatable Bonds	13
Exact Mass	701.9968
Heavy Atoms	47
Complexity	1190.0

Chemical Identifiers

CAS Number	30236-29-4
SMILES	`C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]`
InChIKey	`OTDZXQINPOLBHS-UGDNZRGBSA-N`

📖 Product Overview

[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dinitrooxy-2,5-bis(nitrooxymethyl)oxolan-2-yl]oxy-3,5-dinitrooxy-6-(nitrooxymethyl)oxan-4-yl] nitrate (CAS: 30236-29-4) is a chemical compound with molecular formula C12H14N8O27 and molecular weight 702.28 g/mol. Its IUPAC systematic name is [(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dinitrooxy-2,5-bis(nitrooxymethyl)oxolan-2-yl]oxy-3,5-dinitrooxy-6-(nitrooxymethyl)oxan-4-yl] nitrate. LogP 2.1 Topological Polar Surface Area 468.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 27 Rotatable Bonds 13 Exact Mass 701.9968 Heavy Atoms 47 Complexity 1190.0 InChI Key: OTDZXQINPOLBHS-UGDNZRGBSA-N. SMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dinitrooxy-2,5-bis(nitrooxymethyl)oxolan-2-yl]oxy-3,5-dinitrooxy-6-(nitrooxymethyl)oxan-4-yl] nitrate.

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