benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate

C16H23NO7 — CID 172518089

IUPACbenzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate
SMILESO=C(NCCOC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)OCc1ccccc1
InChIInChI=1S/C16H23NO7/c18-12-9-23-13(15(20)14(12)19)10-22-7-6-17-16(21)24-8-11-4-2-1-3-5-11/h1-5,12-15,18-20H,6-10H2,(H,17,21)/t12-,13+,14+,15+/m0/s1
InChIKeyNTCXGLSOMMOXHF-GBJTYRQASA-N
MW341.36 g/mol
LogP-0.59
Rot. Bonds7

About benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate

benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate (PubChem CID 172518089) has the molecular formula C16H23NO7 and a molecular weight of 341.36 g/mol. Its IUPAC name is benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate
PubChem CID172518089
Molecular FormulaC16H23NO7
Molecular Weight341.36 g/mol
Exact Mass341.15
IUPAC Namebenzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate
SMILESO=C(NCCOC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)OCc1ccccc1
InChIInChI=1S/C16H23NO7/c18-12-9-23-13(15(20)14(12)19)10-22-7-6-17-16(21)24-8-11-4-2-1-3-5-11/h1-5,12-15,18-20H,6-10H2,(H,17,21)/t12-,13+,14+,15+/m0/s1
InChIKeyNTCXGLSOMMOXHF-GBJTYRQASA-N
XLogP-0.59
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 162341693
benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
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benzyl N-[2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxan-2-yl]oxyethyl]carbamate
CID 102456608
benzyl N-[(2S,3R)-2-(bromomethyl)oxetan-3-yl]carbamate
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benzyl N-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170898622
benzyl N-[3-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]carbamate
CID 11378127
benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate
CID 89049973
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl 12-[2-[3-[3-[5-[(3,4-dihydroxyoxan-2-yl)methoxy]pentanoylamino]propylamino]-3-oxopropoxy]ethylamino]-12-oxododecanoate
CID 142489206
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
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benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate (CID 172518089) is benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate is O=C(NCCOC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate?
The InChIKey is NTCXGLSOMMOXHF-GBJTYRQASA-N. The full InChI is InChI=1S/C16H23NO7/c18-12-9-23-13(15(20)14(12)19)10-22-7-6-17-16(21)24-8-11-4-2-1-3-5-11/h1-5,12-15,18-20H,6-10H2,(H,17,21)/t12-,13+,14+,15+/m0/s1.
What are the key properties of benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate?
benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate has a molecular weight of 341.36 g/mol, XLogP of -0.59, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methoxy]ethyl]carbamate is sourced from PubChem (CID 172518089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).