(2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol

C9H19NO4 — CID 167071088

IUPAC(2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol
SMILESC=CC([C@@H](O)CNC)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H19NO4/c1-3-6(7(12)4-10-2)9(14)8(13)5-11/h3,6-14H,1,4-5H2,2H3/t6?,7-,8+,9-/m0/s1
InChIKeyRVVYARLDQTXTMN-HNACHXKJSA-N
MW205.25 g/mol
LogP-1.92
Rot. Bonds7

About (2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol

(2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol (PubChem CID 167071088) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol
PubChem CID167071088
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol
SMILESC=CC([C@@H](O)CNC)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H19NO4/c1-3-6(7(12)4-10-2)9(14)8(13)5-11/h3,6-14H,1,4-5H2,2H3/t6?,7-,8+,9-/m0/s1
InChIKeyRVVYARLDQTXTMN-HNACHXKJSA-N
XLogP-1.92
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol?
The IUPAC name of (2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol (CID 167071088) is (2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol.
What is the SMILES notation for (2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol?
The canonical SMILES for (2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol is C=CC([C@@H](O)CNC)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol?
The InChIKey is RVVYARLDQTXTMN-HNACHXKJSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-6(7(12)4-10-2)9(14)8(13)5-11/h3,6-14H,1,4-5H2,2H3/t6?,7-,8+,9-/m0/s1.
What are the key properties of (2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol?
(2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol has a molecular weight of 205.25 g/mol, XLogP of -1.92, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-4-ethenyl-6-(methylamino)hexane-1,2,3,5-tetrol is sourced from PubChem (CID 167071088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).