(2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol

C9H19NO4 — CID 56626974

IUPAC(2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol
SMILESCC(C)CN[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H19NO4/c1-5(2)3-10-6-4-14-9(13)8(12)7(6)11/h5-13H,3-4H2,1-2H3/t6-,7+,8-,9+/m1/s1
InChIKeyHGETVENXLYHCAJ-XAVMHZPKSA-N
MW205.25 g/mol
LogP-1.33
Rot. Bonds3

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

(2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol (PubChem CID 56626974) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol
PubChem CID56626974
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol
SMILESCC(C)CN[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H19NO4/c1-5(2)3-10-6-4-14-9(13)8(12)7(6)11/h5-13H,3-4H2,1-2H3/t6-,7+,8-,9+/m1/s1
InChIKeyHGETVENXLYHCAJ-XAVMHZPKSA-N
XLogP-1.33
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
(3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine
CID 126847893
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722
4-(2-methylpropylamino)cyclohexan-1-ol
CID 8024862
(2R,3R,4R,5S)-4-(methylamino)oxane-2,3,5-triol
CID 162991407
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(3R,4S,5R)-oxane-2,3,4,5-tetrol
CID 154641569
(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637
(2S,3R,4S,5R)-2-(2-methylpropyl)oxane-3,4,5-triol
CID 70507894
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol?
The IUPAC name of (2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol (CID 56626974) is (2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol?
The canonical SMILES for (2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol is CC(C)CN[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol?
The InChIKey is HGETVENXLYHCAJ-XAVMHZPKSA-N. The full InChI is InChI=1S/C9H19NO4/c1-5(2)3-10-6-4-14-9(13)8(12)7(6)11/h5-13H,3-4H2,1-2H3/t6-,7+,8-,9+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol?
(2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol has a molecular weight of 205.25 g/mol, XLogP of -1.33, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol is sourced from PubChem (CID 56626974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).