(4R,5S)-4-aminodecane-1,2,5-triol

C10H23NO3 — CID 101249167

IUPAC(4R,5S)-4-aminodecane-1,2,5-triol
SMILESCCCCC[C@H](O)[C@H](N)CC(O)CO
InChIInChI=1S/C10H23NO3/c1-2-3-4-5-10(14)9(11)6-8(13)7-12/h8-10,12-14H,2-7,11H2,1H3/t8?,9-,10+/m1/s1
InChIKeyNMBUEKDJGKWIEY-XVBQNVSMSA-N
MW205.30 g/mol
LogP-0.00
Rot. Bonds8

About (4R,5S)-4-aminodecane-1,2,5-triol

(4R,5S)-4-aminodecane-1,2,5-triol (PubChem CID 101249167) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (4R,5S)-4-aminodecane-1,2,5-triol.

Molecular Properties

Compound Name(4R,5S)-4-aminodecane-1,2,5-triol
PubChem CID101249167
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name(4R,5S)-4-aminodecane-1,2,5-triol
SMILESCCCCC[C@H](O)[C@H](N)CC(O)CO
InChIInChI=1S/C10H23NO3/c1-2-3-4-5-10(14)9(11)6-8(13)7-12/h8-10,12-14H,2-7,11H2,1H3/t8?,9-,10+/m1/s1
InChIKeyNMBUEKDJGKWIEY-XVBQNVSMSA-N
XLogP-0.00
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
dodecane-1,2,4,5-tetrol
CID 175058574
(4S,5R)-4-amino-2-methyltetradecan-5-ol
CID 118735808
4-amino-2-methylundecan-5-ol
CID 72805371
3-aminononane-1,4-diol
CID 87704254
13-aminoheptacosan-12-ol
CID 118194809
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
(2R,3S)-2-aminooctadecane-1,3,4-triol
CID 123143330
2-aminodocosane-1,3,4-triol
CID 73238284
(2S,3S,4S)-2-aminohexadecane-1,3,4-triol
CID 163003966

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-aminodecane-1,2,5-triol?
The IUPAC name of (4R,5S)-4-aminodecane-1,2,5-triol (CID 101249167) is (4R,5S)-4-aminodecane-1,2,5-triol.
What is the SMILES notation for (4R,5S)-4-aminodecane-1,2,5-triol?
The canonical SMILES for (4R,5S)-4-aminodecane-1,2,5-triol is CCCCC[C@H](O)[C@H](N)CC(O)CO.
What is the InChIKey of (4R,5S)-4-aminodecane-1,2,5-triol?
The InChIKey is NMBUEKDJGKWIEY-XVBQNVSMSA-N. The full InChI is InChI=1S/C10H23NO3/c1-2-3-4-5-10(14)9(11)6-8(13)7-12/h8-10,12-14H,2-7,11H2,1H3/t8?,9-,10+/m1/s1.
What are the key properties of (4R,5S)-4-aminodecane-1,2,5-triol?
(4R,5S)-4-aminodecane-1,2,5-triol has a molecular weight of 205.30 g/mol, XLogP of -0.00, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-aminodecane-1,2,5-triol is sourced from PubChem (CID 101249167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).