(8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid

C12H23NO8 — CID 158149591

IUPAC(8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid
SMILESNC(CCC(=O)CC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O
InChIInChI=1S/C12H23NO8/c13-7(12(20)21)3-1-6(15)2-4-8(16)10(18)11(19)9(17)5-14/h7-11,14,16-19H,1-5,13H2,(H,20,21)/t7?,8-,9+,10+,11+/m0/s1
InChIKeyFUYADJJEQWNDGO-DSNCZLQVSA-N
MW309.32 g/mol
LogP-3.04
Rot. Bonds11

About (8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid

(8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid (PubChem CID 158149591) has the molecular formula C12H23NO8 and a molecular weight of 309.32 g/mol. Its IUPAC name is (8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid.

Molecular Properties

Compound Name(8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid
PubChem CID158149591
Molecular FormulaC12H23NO8
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name(8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid
SMILESNC(CCC(=O)CC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O
InChIInChI=1S/C12H23NO8/c13-7(12(20)21)3-1-6(15)2-4-8(16)10(18)11(19)9(17)5-14/h7-11,14,16-19H,1-5,13H2,(H,20,21)/t7?,8-,9+,10+,11+/m0/s1
InChIKeyFUYADJJEQWNDGO-DSNCZLQVSA-N
XLogP-3.04
TPSA181.54 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.32
LogP ≤ 5-3.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

(9S,10R,11R,12R)-3-amino-9,10,11,12,13-pentahydroxytridecane-2,6-dione
CID 147949232
2-aminopentanedioic acid;hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanal
CID 174545253
4,5,6,7,8-pentahydroxyoctanoic acid
CID 87558664
(2R)-2,7-diamino-5-oxoheptanoic acid
CID 174747193
2-aminopropanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174331247
2-aminobutanedioic acid;pentane-1,2,3,4,5-pentol
CID 174478377
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
(2S)-2-amino-3-hydroxypropanoic acid;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 88548020
(2S,3S,4S)-2-amino-3,4,5-trihydroxypentanoic acid
CID 11126623
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233

Frequently Asked Questions

What is the IUPAC name of (8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid?
The IUPAC name of (8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid (CID 158149591) is (8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid.
What is the SMILES notation for (8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid?
The canonical SMILES for (8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid is NC(CCC(=O)CC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O.
What is the InChIKey of (8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid?
The InChIKey is FUYADJJEQWNDGO-DSNCZLQVSA-N. The full InChI is InChI=1S/C12H23NO8/c13-7(12(20)21)3-1-6(15)2-4-8(16)10(18)11(19)9(17)5-14/h7-11,14,16-19H,1-5,13H2,(H,20,21)/t7?,8-,9+,10+,11+/m0/s1.
What are the key properties of (8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid?
(8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid has a molecular weight of 309.32 g/mol, XLogP of -3.04, 11 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R,10R,11R)-2-amino-8,9,10,11,12-pentahydroxy-5-oxododecanoic acid is sourced from PubChem (CID 158149591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).