(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide

C9H17NO6 — CID 22084455

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H17NO6/c1-2-3-10-9(16)8(15)7(14)6(13)5(12)4-11/h2,5-8,11-15H,1,3-4H2,(H,10,16)/t5-,6-,7+,8-/m1/s1
InChIKeyWAZBSAITQPBSDO-OOJXKGFFSA-N
MW235.24 g/mol
LogP-3.28
Rot. Bonds7

About (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide (PubChem CID 22084455) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide
PubChem CID22084455
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H17NO6/c1-2-3-10-9(16)8(15)7(14)6(13)5(12)4-11/h2,5-8,11-15H,1,3-4H2,(H,10,16)/t5-,6-,7+,8-/m1/s1
InChIKeyWAZBSAITQPBSDO-OOJXKGFFSA-N
XLogP-3.28
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.24
LogP ≤ 5-3.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R,6R)-N-[2-[[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]amino]ethyl]-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513201
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxy-N-[3-[[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]hexanamide
CID 14403953
2,3-dihydroxy-N-prop-2-enylpropanamide
CID 87997467
ethane;N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 144926346
2,3,4,5,6-pentahydroxy-N-[2-[methyl-[2-(2,3,4,5,6-pentahydroxyhexanoylamino)ethyl]amino]ethyl]hexanamide
CID 58472211
N-(2-bromoethyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 117069356
(2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide
CID 101019303
(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-prop-2-enylsulfonylheptanamide
CID 88703987
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
(5S,6S,7R,8R)-5,6,7,8,9-pentahydroxynon-1-en-4-one
CID 140898265
2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide
CID 135157558

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide (CID 22084455) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide is C=CCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide?
The InChIKey is WAZBSAITQPBSDO-OOJXKGFFSA-N. The full InChI is InChI=1S/C9H17NO6/c1-2-3-10-9(16)8(15)7(14)6(13)5(12)4-11/h2,5-8,11-15H,1,3-4H2,(H,10,16)/t5-,6-,7+,8-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide has a molecular weight of 235.24 g/mol, XLogP of -3.28, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide is sourced from PubChem (CID 22084455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).