[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate

C9H17NO7 — CID 101002627

IUPAC[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate
SMILESCCNC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H17NO7/c1-2-10-9(15)16-3-4-5(11)6(12)7(13)8(14)17-4/h4-8,11-14H,2-3H2,1H3,(H,10,15)/t4-,5+,6+,7-,8?/m1/s1
InChIKeyRHNZXPPBSMWWAO-XLSKCSLXSA-N
MW251.23 g/mol
LogP-2.47
Rot. Bonds3

About [(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate

[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate (PubChem CID 101002627) has the molecular formula C9H17NO7 and a molecular weight of 251.23 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate
PubChem CID101002627
Molecular FormulaC9H17NO7
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate
SMILESCCNC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H17NO7/c1-2-10-9(15)16-3-4-5(11)6(12)7(13)8(14)17-4/h4-8,11-14H,2-3H2,1H3,(H,10,15)/t4-,5+,6+,7-,8?/m1/s1
InChIKeyRHNZXPPBSMWWAO-XLSKCSLXSA-N
XLogP-2.47
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 5-2.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10331746
methyl [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl carbonate
CID 10399290
3-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxycarbonylamino]propane-1-sulfinate
CID 90322093
[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 95369557
3-[[2-carboxy-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxycarbonylamino]ethyl]disulfanyl]-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxycarbonylamino]propanoic acid
CID 53380619
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-methylprop-2-enoate
CID 123175000
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hexanoate
CID 102094451
[(3aR,5R,6S,7R,7aR)-2-(dimethylamino)-6,7-dihydroxy-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazol-5-yl]methyl N-ethylcarbamate
CID 126606491
[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl octanoate
CID 101360009
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dodecanoate
CID 10193765
[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-(methylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]methyl N-ethylcarbamate
CID 66551926
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate?
The IUPAC name of [(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate (CID 101002627) is [(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate.
What is the SMILES notation for [(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate?
The canonical SMILES for [(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate is CCNC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate?
The InChIKey is RHNZXPPBSMWWAO-XLSKCSLXSA-N. The full InChI is InChI=1S/C9H17NO7/c1-2-10-9(15)16-3-4-5(11)6(12)7(13)8(14)17-4/h4-8,11-14H,2-3H2,1H3,(H,10,15)/t4-,5+,6+,7-,8?/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate?
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate has a molecular weight of 251.23 g/mol, XLogP of -2.47, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate is sourced from PubChem (CID 101002627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).