N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide

C9H17NO5 — CID 172733347

IUPACN-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide
SMILESC[C@H]1OC(O)[C@@](C)(O)[C@@](C)(O)[C@@H]1NC=O
InChIInChI=1S/C9H17NO5/c1-5-6(10-4-11)8(2,13)9(3,14)7(12)15-5/h4-7,12-14H,1-3H3,(H,10,11)/t5-,6-,7?,8+,9-/m1/s1
InChIKeyICBUHVAYXYIUFN-QVEDDBAWSA-N
MW219.24 g/mol
LogP-1.66
Rot. Bonds2

About N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide

N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide (PubChem CID 172733347) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide
PubChem CID172733347
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC NameN-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide
SMILESC[C@H]1OC(O)[C@@](C)(O)[C@@](C)(O)[C@@H]1NC=O
InChIInChI=1S/C9H17NO5/c1-5-6(10-4-11)8(2,13)9(3,14)7(12)15-5/h4-7,12-14H,1-3H3,(H,10,11)/t5-,6-,7?,8+,9-/m1/s1
InChIKeyICBUHVAYXYIUFN-QVEDDBAWSA-N
XLogP-1.66
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol
CID 130875255
1-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolan-3-yl]ethanone
CID 57152401
N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide
CID 89219311
N-[(2R,3S)-2-methyloxan-3-yl]formamide
CID 129044544
(4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate
CID 123872105
N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide
CID 143170351
N-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5S,6R)-5-formamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4,6-dihydroxy-2-methyloxan-3-yl]formamide
CID 91846013
dilithium;N-(5-formamido-3,3-dimethylcyclohexyl)formamide;hydride
CID 173289706
N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide
CID 89007748
(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759
(1R,4S,5R)-4,6,6-trimethyl-3-oxabicyclo[3.1.0]hexane-1,2,5-triol
CID 54571248
N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide
CID 11089173

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide?
The IUPAC name of N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide (CID 172733347) is N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide.
What is the SMILES notation for N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide?
The canonical SMILES for N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide is C[C@H]1OC(O)[C@@](C)(O)[C@@](C)(O)[C@@H]1NC=O.
What is the InChIKey of N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide?
The InChIKey is ICBUHVAYXYIUFN-QVEDDBAWSA-N. The full InChI is InChI=1S/C9H17NO5/c1-5-6(10-4-11)8(2,13)9(3,14)7(12)15-5/h4-7,12-14H,1-3H3,(H,10,11)/t5-,6-,7?,8+,9-/m1/s1.
What are the key properties of N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide?
N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide has a molecular weight of 219.24 g/mol, XLogP of -1.66, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide is sourced from PubChem (CID 172733347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).