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

C8H19NO4 — CID 46237758

IUPAC(2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol
SMILESCCC[C@@H](N)[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C8H19NO4/c1-2-3-5(9)7(12)8(13)6(11)4-10/h5-8,10-13H,2-4,9H2,1H3/t5-,6+,7+,8-/m1/s1
InChIKeyCGDLSOCCDRJKNX-VGRMVHKJSA-N
MW193.24 g/mol
LogP-1.81
Rot. Bonds6

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

(2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol (PubChem CID 46237758) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is (2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol
PubChem CID46237758
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol
SMILESCCC[C@@H](N)[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C8H19NO4/c1-2-3-5(9)7(12)8(13)6(11)4-10/h5-8,10-13H,2-4,9H2,1H3/t5-,6+,7+,8-/m1/s1
InChIKeyCGDLSOCCDRJKNX-VGRMVHKJSA-N
XLogP-1.81
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-1.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
(2R,3R,4R,5R)-5-amino-6-sulfanylhexane-1,2,3,4-tetrol
CID 87770507
(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
(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol
CID 139898597
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
(2S,3R,4R)-4-aminopentane-1,2,3,5-tetrol
CID 126485687
decane-4,5,6,7-tetrol
CID 73238857
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol?
The IUPAC name of (2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol (CID 46237758) is (2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol is CCC[C@@H](N)[C@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol?
The InChIKey is CGDLSOCCDRJKNX-VGRMVHKJSA-N. The full InChI is InChI=1S/C8H19NO4/c1-2-3-5(9)7(12)8(13)6(11)4-10/h5-8,10-13H,2-4,9H2,1H3/t5-,6+,7+,8-/m1/s1.
What are the key properties of (2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol?
(2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol has a molecular weight of 193.24 g/mol, XLogP of -1.81, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-5-aminooctane-1,2,3,4-tetrol is sourced from PubChem (CID 46237758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).