(2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol

C6H11NO6 — CID 11745494

IUPAC(2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol
SMILESO=[N+]([O-])C[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11NO6/c8-3-2-13-4(1-7(11)12)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyKYBWIVQIHUYTAA-KAZBKCHUSA-N
MW193.15 g/mol
LogP-2.26
Rot. Bonds2

About (2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol

(2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol (PubChem CID 11745494) has the molecular formula C6H11NO6 and a molecular weight of 193.15 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol
PubChem CID11745494
Molecular FormulaC6H11NO6
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC Name(2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol
SMILESO=[N+]([O-])C[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11NO6/c8-3-2-13-4(1-7(11)12)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyKYBWIVQIHUYTAA-KAZBKCHUSA-N
XLogP-2.26
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2R,3R,4S,5R)-2-(hydroxymethyl)-4-nitrooxane-3,5-diol
CID 57041181
(2S,3R,4R,5S)-2-(chloromethyl)oxane-3,4,5-triol
CID 18632305
(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
CID 134180059
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
CID 166874001
1-[(3R,5R)-3,4,5-trihydroxyoxan-2-yl]propan-2-one
CID 129131488
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
(2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol
CID 126601824
(2S,3R,4S,5R)-2-(2-methylpropyl)oxane-3,4,5-triol
CID 70507894
(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol
CID 54109760

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol (CID 11745494) is (2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol is O=[N+]([O-])C[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol?
The InChIKey is KYBWIVQIHUYTAA-KAZBKCHUSA-N. The full InChI is InChI=1S/C6H11NO6/c8-3-2-13-4(1-7(11)12)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4-,5-,6+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol?
(2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol has a molecular weight of 193.15 g/mol, XLogP of -2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(nitromethyl)oxane-3,4,5-triol is sourced from PubChem (CID 11745494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).