(2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol

C10H21NO5 — CID 157382207

IUPAC(2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol
SMILESCCC(CN)O[C@H]1OC(C)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C10H21NO5/c1-3-6(4-11)16-10-9(14)8(13)7(12)5(2)15-10/h5-10,12-14H,3-4,11H2,1-2H3/t5?,6?,7-,8-,9?,10+/m0/s1
InChIKeyULYBDWRPNMZGHK-XBWNETJSSA-N
MW235.28 g/mol
LogP-1.43
Rot. Bonds4

About (2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol

(2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol (PubChem CID 157382207) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol
PubChem CID157382207
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol
SMILESCCC(CN)O[C@H]1OC(C)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C10H21NO5/c1-3-6(4-11)16-10-9(14)8(13)7(12)5(2)15-10/h5-10,12-14H,3-4,11H2,1-2H3/t5?,6?,7-,8-,9?,10+/m0/s1
InChIKeyULYBDWRPNMZGHK-XBWNETJSSA-N
XLogP-1.43
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol (CID 157382207) is (2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol is CCC(CN)O[C@H]1OC(C)[C@H](O)[C@H](O)C1O.
What is the InChIKey of (2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol?
The InChIKey is ULYBDWRPNMZGHK-XBWNETJSSA-N. The full InChI is InChI=1S/C10H21NO5/c1-3-6(4-11)16-10-9(14)8(13)7(12)5(2)15-10/h5-10,12-14H,3-4,11H2,1-2H3/t5?,6?,7-,8-,9?,10+/m0/s1.
What are the key properties of (2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol?
(2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol has a molecular weight of 235.28 g/mol, XLogP of -1.43, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-2-(1-aminobutan-2-yloxy)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 157382207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).