(2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol

C5H9NO7 — CID 135334074

IUPAC(2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol
SMILESO=[N+]([O-])[C@@]1(O)CO[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C5H9NO7/c7-2-3(8)5(10,6(11)12)1-13-4(2)9/h2-4,7-10H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyXPJPVVOFNUINBO-TXICZTDVSA-N
MW195.13 g/mol
LogP-2.98
Rot. Bonds1

About (2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol

(2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol (PubChem CID 135334074) has the molecular formula C5H9NO7 and a molecular weight of 195.13 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol
PubChem CID135334074
Molecular FormulaC5H9NO7
Molecular Weight195.13 g/mol
Exact Mass195.04
IUPAC Name(2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol
SMILESO=[N+]([O-])[C@@]1(O)CO[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C5H9NO7/c7-2-3(8)5(10,6(11)12)1-13-4(2)9/h2-4,7-10H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyXPJPVVOFNUINBO-TXICZTDVSA-N
XLogP-2.98
TPSA133.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 5-2.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,3aR,6S,6aS)-6-nitro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;hydrofluoride
CID 174923244
2-nitrooxirane-2,3-diol
CID 156688555
[(3S,3aR,6S,6aS)-3,6-dihydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl]-trimethylazanium nitrate
CID 174690722
(5R,6R)-4,7-dinitro-5,6-dihydro-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diol
CID 41010642
[1-[(3R,3aR,6R,6aS)-3,6-dihydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl]cyclohexyl] nitrate
CID 175300057
bis(nitric acid);2-phenyloxolane-3,4-diol
CID 88723000
(2R,3S,4R,5R)-2-(2-methyl-5-nitroanilino)oxane-3,4,5-triol
CID 7065168
(1R,4S,6S,7S,10S,11S)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one
CID 163001710
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol
CID 91589098
(2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol
CID 11745494
(2S,3R,4S,5R,6S)-6-[hydroxy(nitro)methyl]-3,4-dinitrooxane-2,3,4,5-tetrol
CID 123247106
(2R,3S,4S,5S)-2-(2-nitroanilino)oxane-3,4,5-triol
CID 124728371

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol (CID 135334074) is (2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol is O=[N+]([O-])[C@@]1(O)CO[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol?
The InChIKey is XPJPVVOFNUINBO-TXICZTDVSA-N. The full InChI is InChI=1S/C5H9NO7/c7-2-3(8)5(10,6(11)12)1-13-4(2)9/h2-4,7-10H,1H2/t2-,3-,4-,5-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol?
(2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol has a molecular weight of 195.13 g/mol, XLogP of -2.98, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-nitrooxane-2,3,4,5-tetrol is sourced from PubChem (CID 135334074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).