benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate

C14H19NO6 — CID 102288757

IUPACbenzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate
SMILESC[C@@H]1O[C@H](O)[C@@H](O)[C@H](NC(=O)OCc2ccccc2)[C@H]1O
InChIInChI=1S/C14H19NO6/c1-8-11(16)10(12(17)13(18)21-8)15-14(19)20-7-9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13-/m0/s1
InChIKeySLSGIDMKVJOLLR-YIQGNQSOSA-N
MW297.31 g/mol
LogP-0.26
Rot. Bonds3

About benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate

benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate (PubChem CID 102288757) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate
PubChem CID102288757
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Namebenzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate
SMILESC[C@@H]1O[C@H](O)[C@@H](O)[C@H](NC(=O)OCc2ccccc2)[C@H]1O
InChIInChI=1S/C14H19NO6/c1-8-11(16)10(12(17)13(18)21-8)15-14(19)20-7-9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13-/m0/s1
InChIKeySLSGIDMKVJOLLR-YIQGNQSOSA-N
XLogP-0.26
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate with MolForge

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Related Compounds

benzyl N-[(3R,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate
CID 134846363
[(2R,3S,4R,5R,6S)-3,6-dihydroxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl acetate
CID 13384782
benzyl N-[(2S,3R,4R,5S,6S)-6-carbamoyl-4,5-dihydroxy-2-phenylmethoxyoxan-3-yl]carbamate
CID 18660929
methyl 2,5-dimethyl-6-oxo-4-(phenylmethoxycarbonylamino)oxane-3-carboxylate
CID 14055711
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl acetate
CID 11089954
methyl 3-(phenylmethoxycarbonylamino)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 14330860
benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 70415779
benzyl N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]carbamate
CID 67703192
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(2R,3S,4R,5S,6R)-2-(decylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 70386169
(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
CID 175653873

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate (CID 102288757) is benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate is C[C@@H]1O[C@H](O)[C@@H](O)[C@H](NC(=O)OCc2ccccc2)[C@H]1O.
What is the InChIKey of benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate?
The InChIKey is SLSGIDMKVJOLLR-YIQGNQSOSA-N. The full InChI is InChI=1S/C14H19NO6/c1-8-11(16)10(12(17)13(18)21-8)15-14(19)20-7-9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13-/m0/s1.
What are the key properties of benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate?
benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate has a molecular weight of 297.31 g/mol, XLogP of -0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]carbamate is sourced from PubChem (CID 102288757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).