(2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol

C8H19NO4 — CID 88965637

IUPAC(2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol
SMILESCC(C)CC[C@H](O)[C@H](C)ON(O)O
InChIInChI=1S/C8H19NO4/c1-6(2)4-5-8(10)7(3)13-9(11)12/h6-8,10-12H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyKSVFJNIDPZKIOP-YUMQZZPRSA-N
MW193.24 g/mol
LogP1.18
Rot. Bonds6

About (2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol

(2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol (PubChem CID 88965637) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is (2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol
PubChem CID88965637
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol
SMILESCC(C)CC[C@H](O)[C@H](C)ON(O)O
InChIInChI=1S/C8H19NO4/c1-6(2)4-5-8(10)7(3)13-9(11)12/h6-8,10-12H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyKSVFJNIDPZKIOP-YUMQZZPRSA-N
XLogP1.18
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(dihydroxyamino)oxy-5-methylhexane
CID 88965565
6-methylheptane-2,3-diol
CID 57080591
(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
CID 154251758
2-(diethylamino)-7-methyloctane-3,4-diol
CID 71373825
ethane;5-methylhexan-2-ol
CID 144624886
1-[(2S)-2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane
CID 88965703
1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane
CID 88965625
6-methyl-2-methylsulfonylheptan-3-ol
CID 115783738
1-[hydroxy(2-methylpropyl)amino]ethanol
CID 139501207
6-methyl-1-(3-methylbutoxy)heptan-3-ol
CID 115001714
6-(ethoxymethyl)-2-methyldecan-5-ol
CID 143317238
(1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol
CID 171265016

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol?
The IUPAC name of (2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol (CID 88965637) is (2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol.
What is the SMILES notation for (2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol?
The canonical SMILES for (2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol is CC(C)CC[C@H](O)[C@H](C)ON(O)O.
What is the InChIKey of (2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol?
The InChIKey is KSVFJNIDPZKIOP-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H19NO4/c1-6(2)4-5-8(10)7(3)13-9(11)12/h6-8,10-12H,4-5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol?
(2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol has a molecular weight of 193.24 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(dihydroxyamino)oxy-6-methylheptan-3-ol is sourced from PubChem (CID 88965637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).