tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate

C13H25NO6 — CID 11173831

IUPACtert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate
SMILESCO[C@@H]1C[C@](C)(NC(=O)OC(C)(C)C)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C13H25NO6/c1-12(2,3)20-11(17)14-13(4)6-9(18-5)19-8(7-15)10(13)16/h8-10,15-16H,6-7H2,1-5H3,(H,14,17)/t8-,9+,10-,13+/m1/s1
InChIKeyXGXHYUINCRHTTH-COMAGPEQSA-N
MW291.34 g/mol
LogP0.38
Rot. Bonds3

About tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate

tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate (PubChem CID 11173831) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate
PubChem CID11173831
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Nametert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate
SMILESCO[C@@H]1C[C@](C)(NC(=O)OC(C)(C)C)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C13H25NO6/c1-12(2,3)20-11(17)14-13(4)6-9(18-5)19-8(7-15)10(13)16/h8-10,15-16H,6-7H2,1-5H3,(H,14,17)/t8-,9+,10-,13+/m1/s1
InChIKeyXGXHYUINCRHTTH-COMAGPEQSA-N
XLogP0.38
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate with MolForge

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Related Compounds

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CID 10036692
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CID 10988547
tert-butyl N-[3-(hydroxymethyl)oxiran-2-yl]carbamate
CID 167434773
tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
CID 121388239
tert-butyl N-[[2-(hydroxymethyl)spiro[2.2]pentan-5-yl]methyl]carbamate
CID 170911752
tert-butyl N-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methyl]carbamate
CID 167737736
tert-butyl N-[N'-[(3S,4R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 176815916
tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate
CID 156510881
tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323073
tert-butyl N-[(1R,2R)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323155
ethyl 3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 134311846
tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate (CID 11173831) is tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate is CO[C@@H]1C[C@](C)(NC(=O)OC(C)(C)C)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate?
The InChIKey is XGXHYUINCRHTTH-COMAGPEQSA-N. The full InChI is InChI=1S/C13H25NO6/c1-12(2,3)20-11(17)14-13(4)6-9(18-5)19-8(7-15)10(13)16/h8-10,15-16H,6-7H2,1-5H3,(H,14,17)/t8-,9+,10-,13+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate?
tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate has a molecular weight of 291.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-methyloxan-4-yl]carbamate is sourced from PubChem (CID 11173831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).