tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate

C11H19NO6 — CID 130763656

IUPACtert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate
SMILESC[C@H]1OC(=O)[C@H](O)[C@H](O)[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO6/c1-5-6(7(13)8(14)9(15)17-5)12-10(16)18-11(2,3)4/h5-8,13-14H,1-4H3,(H,12,16)/t5-,6+,7-,8-/m1/s1
InChIKeyOOZAYCRSFIGPNO-ULAWRXDQSA-N
MW261.27 g/mol
LogP-0.45
Rot. Bonds1

About tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate

tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate (PubChem CID 130763656) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate
PubChem CID130763656
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Nametert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate
SMILESC[C@H]1OC(=O)[C@H](O)[C@H](O)[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO6/c1-5-6(7(13)8(14)9(15)17-5)12-10(16)18-11(2,3)4/h5-8,13-14H,1-4H3,(H,12,16)/t5-,6+,7-,8-/m1/s1
InChIKeyOOZAYCRSFIGPNO-ULAWRXDQSA-N
XLogP-0.45
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate (CID 130763656) is tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate is C[C@H]1OC(=O)[C@H](O)[C@H](O)[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate?
The InChIKey is OOZAYCRSFIGPNO-ULAWRXDQSA-N. The full InChI is InChI=1S/C11H19NO6/c1-5-6(7(13)8(14)9(15)17-5)12-10(16)18-11(2,3)4/h5-8,13-14H,1-4H3,(H,12,16)/t5-,6+,7-,8-/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate?
tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate has a molecular weight of 261.27 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R,4R,5R)-4,5-dihydroxy-2-methyl-6-oxooxan-3-yl]carbamate is sourced from PubChem (CID 130763656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).