(2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol

C7H15NO5 — CID 163769371

IUPAC(2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol
SMILESCC[C@H](N=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO5/c1-2-4(8-13)6(11)7(12)5(10)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKeyMFCDQVQKOAXEHV-BDVNFPICSA-N
MW193.20 g/mol
LogP-1.39
Rot. Bonds6

About (2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol

(2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol (PubChem CID 163769371) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol
PubChem CID163769371
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol
SMILESCC[C@H](N=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO5/c1-2-4(8-13)6(11)7(12)5(10)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKeyMFCDQVQKOAXEHV-BDVNFPICSA-N
XLogP-1.39
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dinitrosooctane-1,3,4,5-tetrol
CID 122468077
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
3-nitrosobutane-1,2,4-triol
CID 89185145
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
tris(nitric acid);4-nitrosoheptane-1,2,3-triol
CID 173297146
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol (CID 163769371) is (2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol is CC[C@H](N=O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol?
The InChIKey is MFCDQVQKOAXEHV-BDVNFPICSA-N. The full InChI is InChI=1S/C7H15NO5/c1-2-4(8-13)6(11)7(12)5(10)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol?
(2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol has a molecular weight of 193.20 g/mol, XLogP of -1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol is sourced from PubChem (CID 163769371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).