tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate

C18H33NO10 — CID 10982763

IUPACtert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate
SMILESCO[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO[C@H]1C[C@H](O)[C@@H](N(C)C(=O)OC(C)(C)C)CO1
InChIInChI=1S/C18H33NO10/c1-18(2,3)29-17(24)19(4)9-7-26-12(6-10(9)20)27-8-11-15(25-5)13(21)14(22)16(23)28-11/h9-16,20-23H,6-8H2,1-5H3/t9-,10-,11+,12-,13+,14+,15+,16?/m0/s1
InChIKeyINGQIHCXACGNFH-AIMSLLLFSA-N
MW423.46 g/mol
LogP-1.20
Rot. Bonds5

About tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate

tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate (PubChem CID 10982763) has the molecular formula C18H33NO10 and a molecular weight of 423.46 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate
PubChem CID10982763
Molecular FormulaC18H33NO10
Molecular Weight423.46 g/mol
Exact Mass423.21
IUPAC Nametert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate
SMILESCO[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO[C@H]1C[C@H](O)[C@@H](N(C)C(=O)OC(C)(C)C)CO1
InChIInChI=1S/C18H33NO10/c1-18(2,3)29-17(24)19(4)9-7-26-12(6-10(9)20)27-8-11-15(25-5)13(21)14(22)16(23)28-11/h9-16,20-23H,6-8H2,1-5H3/t9-,10-,11+,12-,13+,14+,15+,16?/m0/s1
InChIKeyINGQIHCXACGNFH-AIMSLLLFSA-N
XLogP-1.20
TPSA147.38 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate (CID 10982763) is tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate is CO[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO[C@H]1C[C@H](O)[C@@H](N(C)C(=O)OC(C)(C)C)CO1.
What is the InChIKey of tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate?
The InChIKey is INGQIHCXACGNFH-AIMSLLLFSA-N. The full InChI is InChI=1S/C18H33NO10/c1-18(2,3)29-17(24)19(4)9-7-26-12(6-10(9)20)27-8-11-15(25-5)13(21)14(22)16(23)28-11/h9-16,20-23H,6-8H2,1-5H3/t9-,10-,11+,12-,13+,14+,15+,16?/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate?
tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate has a molecular weight of 423.46 g/mol, XLogP of -1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S,6S)-4-hydroxy-6-[[(2R,3S,4R,5R)-4,5,6-trihydroxy-3-methoxyoxan-2-yl]methoxy]oxan-3-yl]-N-methylcarbamate is sourced from PubChem (CID 10982763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).